t-butyl 4-(1-benzenesulfonyl-1H-indol-4-yl)piperazine-1-carboxylate

HCID 22015366

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIKey
NIOSUPXBTKYHLM-UHFFFAOYSA-N
Molecular formula
C23H27N3O4S
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
t-butyl 4-(1-benzenesulfonyl-1H-indol-4-yl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[1-(benzenesulfonyl)indol-4-yl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL1537845NIOSUPXBTKYHLM-UHFFFAOYSA-Nt-butyl 4-(l-benzenesulfonyl-1H-indol-4-yl)piperazine-1-carboxylatet-butyl 4-(1-benzenesulfonyl-1H-indol-4-yl)piperazine-1-carboxylatetert-butyl 4-[1-(phenylsulfonyl)-1h-indol-4-yl]-1-piperazinecarboxylate4-(1-Benzenesulfonyl-1H-indol-4-yl)-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
22015366

Properties

Computed structural properties

XLogP
4
Topological polar surface area
80.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

Related reactions

10 records

Linked notes

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