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

Systemtic Name: 1-[3-(3-aminophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-2-methyl-piperidine-3-carboxylic acid Openeye Name: 1-[3-(3-aminophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-2-methyl-piperidine-3-carboxylic acid CAS Name: 1-[3-(3-aminophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-methyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-aminophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-2-methylpiperidine-3-carboxylic acid Traditional Name: 1-[3-(3-aminophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-2-methyl-nipecotic acid Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCN1C(=O)C(CC2=CC(=CC=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1C(CCCN1C(=O)C(CC2=CC(=CC=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C26H29N3O5S/c1-17-23(26(31)32)10-5-13-29(17)25(30)24(15-18-6-4-9-21(27)14-18)28-35(33,34)22-12-11-19-7-2-3-8-20(19)16-22/h2-4,6-9,11-12,14,16-17,23-24,28H,5,10,13,15,27H2,1H3,(H,31,32)