2-[ethyl-[1-phenyl-2-[(phenylmethyl)sulfonylamino]piperidin-2-yl]carbonyl-amino]benzoic acid

Systemtic Name: 2-[ethyl-[1-phenyl-2-[(phenylmethyl)sulfonylamino]piperidin-2-yl]carbonyl-amino]benzoic acid Openeye Name: 2-[[2-(benzylsulfonylamino)-1-phenyl-piperidine-2-carbonyl]-ethyl-amino]benzoic acid CAS Name: 2-[ethyl-[oxo-[1-phenyl-2-[(phenylmethyl)sulfonylamino]-2-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 2-[[2-(benzylsulfonylamino)-1-phenylpiperidine-2-carbonyl]-ethylamino]benzoic acid Traditional Name: 2-[[2-(benzylsulfonylamino)-1-phenyl-pipecoloyl]-ethyl-amino]benzoic acid Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1C(=O)O)C(=O)C2(CCCCN2C3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1C(=O)O)C(=O)C2(CCCCN2C3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-2-30(25-18-10-9-17-24(25)26(32)33)27(34)28(29-37(35,36)21-22-13-5-3-6-14-22)19-11-12-20-31(28)23-15-7-4-8-16-23/h3-10,13-18,29H,2,11-12,19-21H2,1H3,(H,32,33)