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N-{(S)-2-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-1-[(2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl]ethyl}-2-nitrobenzenesulfonamide

HCID 66645367
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)[C@@H]1C[C@@H]([C@H](CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])OC1=O
InChIKey
BNMWAKWPXCYFNC-LEDOBFOHSA-N
Molecular formula
C27H33ClN4O7S
Average molar mass
593.1 g/mol

Names & identifiers

Preferred name
N-{(S)-2-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-1-[(2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl]ethyl}-2-nitrobenzenesulfonamide
IUPAC
N-[(1S)-2-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]ethyl]-2-nitrobenzenesulfonamide

Names & synonyms

SCHEMBL290929BNMWAKWPXCYFNC-LEDOBFOHSA-NN-{(S)-2-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-1-[(2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl]ethyl}-2-nitrobenzenesulfonamide

Database identifiers

PubChem CID
66645367

Properties

Computed structural propertiesFilling in

XLogP
4.3
Topological polar surface area
150 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
40
Formal charge
0
Complexity
1,060

Related reactions

2 records
New reaction record
HRID 1694893 reaction equation
HRID 1694893As productuspto-grants-2012_04
HRID 1694894 reaction equation
HRID 1694894As reactantuspto-grants-2012_04

Compound notes

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