2-[[2-(butylsulfonylamino)-3-piperidin-1-yl-pyridin-4-yl]carbonyl-ethyl-amino]benzoic acid hydrochloride

Systemtic Name: 2-[[2-(butylsulfonylamino)-3-piperidin-1-yl-pyridin-4-yl]carbonyl-ethyl-amino]benzoic acid hydrochloride Openeye Name: 2-[[2-(butylsulfonylamino)-3-(1-piperidyl)pyridine-4-carbonyl]-ethyl-amino]benzoic acid hydrochloride CAS Name: 2-[[[2-(butylsulfonylamino)-3-(1-piperidinyl)-4-pyridinyl]-oxomethyl]-ethylamino]benzoic acid hydrochloride IUPAC Name: 2-[[2-(butylsulfonylamino)-3-piperidin-1-ylpyridine-4-carbonyl]-ethylamino]benzoic acid hydrochloride Traditional Name: 2-[[2-(butylsulfonylamino)-3-piperidino-isonicotinoyl]-ethyl-amino]benzoic acid hydrochloride Formula: C24H33ClN4O5S MolecularWeight: 525.06062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=NC=CC(=C1N2CCCCC2)C(=O)N(CC)C3=CC=CC=C3C(=O)O.Cl

Isomeric SMILES

CCCCS(=O)(=O)NC1=NC=CC(=C1N2CCCCC2)C(=O)N(CC)C3=CC=CC=C3C(=O)O.Cl

InChI

InChI=1S/C24H32N4O5S.ClH/c1-3-5-17-34(32,33)26-22-21(27-15-9-6-10-16-27)19(13-14-25-22)23(29)28(4-2)20-12-8-7-11-18(20)24(30)31;/h7-8,11-14H,3-6,9-10,15-17H2,1-2H3,(H,25,26)(H,30,31);1H