7-Methoxy-2-napthalenesulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]-(3-phenylallyl)amide

HCID 67366830
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Basic information

Standard SMILES
COc1ccc2ccc(S(=O)(=O)N(CC=Cc3ccccc3)[C@H]3CCN(Cc4cccc(C#N)c4)C3=O)cc2c1
InChIKey
NHOWUKUQIYPOOH-HKBQPEDESA-N
Molecular formula
C32H29N3O4S
Average molar mass
551.7 g/mol

Names & identifiers

Preferred name
7-Methoxy-2-napthalenesulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]-(3-phenylallyl)amide
IUPAC
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-7-methoxy-N-(3-phenylprop-2-enyl)naphthalene-2-sulfonamide

Names & synonyms

SCHEMBL2331999NHOWUKUQIYPOOH-HKBQPEDESA-N7-Methoxy-2-napthalenesulfonic acid [1-(3-cyanobenzyl)-2-oxopyrrolidin-3-(S)-yl]-(3-phenylallyl)amide

Database identifiers

PubChem CID
67366830

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
99.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
40

Related reactions

1 records
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Compound notes

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