phenyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: phenyl 4-[3-(3-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazine-1-carboxylic acid phenyl ester Formula: C31H28N4O5S MolecularWeight: 568.64282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N4O5S/c32-22-24-8-6-7-23(19-24)20-29(33-41(38,39)28-14-13-25-9-4-5-10-26(25)21-28)30(36)34-15-17-35(18-16-34)31(37)40-27-11-2-1-3-12-27/h1-14,19,21,29,33H,15-18,20H2