5-[(4-ethylphenyl)sulfonylamino]-2-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[(4-ethylphenyl)sulfonylamino]-2-[4-(phenylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid CAS Name: 5-[(4-ethylphenyl)sulfonylamino]-2-[4-(phenylmethyl)-1-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 2-(4-benzylpiperidino)-5-[(4-ethylphenyl)sulfonylamino]nicotinic acid Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-2-19-8-10-23(11-9-19)34(32,33)28-22-17-24(26(30)31)25(27-18-22)29-14-12-21(13-15-29)16-20-6-4-3-5-7-20/h3-11,17-18,21,28H,2,12-16H2,1H3,(H,30,31)