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

Systemtic Name: 3-(4-cyanophenyl)-2-[2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-1-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-2-[2-(2-naphthylsulfonylamino)propanoyl]piperidine-1-carboxylic acid CAS Name: 3-(4-cyanophenyl)-2-[2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-2-[2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-1-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-2-[2-(2-naphthylsulfonylamino)propanoyl]piperidine-1-carboxylic acid Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1C(CCCN1C(=O)O)C2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)C1C(CCCN1C(=O)O)C2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N3O5S/c1-17(28-35(33,34)22-13-12-19-5-2-3-6-21(19)15-22)25(30)24-23(7-4-14-29(24)26(31)32)20-10-8-18(16-27)9-11-20/h2-3,5-6,8-13,15,17,23-24,28H,4,7,14H2,1H3,(H,31,32)