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

Systemtic Name: 2-[[2-(butylsulfonylamino)-1-phenyl-piperidin-2-yl]carbonyl-ethyl-amino]benzoic acid hydrochloride Openeye Name: 2-[[2-(butylsulfonylamino)-1-phenyl-piperidine-2-carbonyl]-ethyl-amino]benzoic acid hydrochloride CAS Name: 2-[[[2-(butylsulfonylamino)-1-phenyl-2-piperidinyl]-oxomethyl]-ethylamino]benzoic acid hydrochloride IUPAC Name: 2-[[2-(butylsulfonylamino)-1-phenylpiperidine-2-carbonyl]-ethylamino]benzoic acid hydrochloride Traditional Name: 2-[[2-(butylsulfonylamino)-1-phenyl-pipecoloyl]-ethyl-amino]benzoic acid hydrochloride Formula: C25H34ClN3O5S MolecularWeight: 524.07256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1(CCCCN1C2=CC=CC=C2)C(=O)N(CC)C3=CC=CC=C3C(=O)O.Cl

Isomeric SMILES

CCCCS(=O)(=O)NC1(CCCCN1C2=CC=CC=C2)C(=O)N(CC)C3=CC=CC=C3C(=O)O.Cl

InChI

InChI=1S/C25H33N3O5S.ClH/c1-3-5-19-34(32,33)26-25(17-11-12-18-28(25)20-13-7-6-8-14-20)24(31)27(4-2)22-16-10-9-15-21(22)23(29)30;/h6-10,13-16,26H,3-5,11-12,17-19H2,1-2H3,(H,29,30);1H