1-[3-(3-aminophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(3-aminophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(3-aminophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(3-aminophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-aminophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(3-aminophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C(CC2=CC(=CC=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C(CC2=CC(=CC=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O5S/c26-21-7-3-4-17(14-21)15-23(24(29)28-12-10-19(11-13-28)25(30)31)27-34(32,33)22-9-8-18-5-1-2-6-20(18)16-22/h1-9,14,16,19,23,27H,10-13,15,26H2,(H,30,31)