methyl 2-[[2-(butylsulfonylamino)-1-phenyl-piperidin-2-yl]carbonyl-ethyl-amino]benzoate hydrochloride

Systemtic Name: methyl 2-[[2-(butylsulfonylamino)-1-phenyl-piperidin-2-yl]carbonyl-ethyl-amino]benzoate hydrochloride Openeye Name: methyl 2-[[2-(butylsulfonylamino)-1-phenyl-piperidine-2-carbonyl]-ethyl-amino]benzoate hydrochloride CAS Name: 2-[[[2-(butylsulfonylamino)-1-phenyl-2-piperidinyl]-oxomethyl]-ethylamino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[[2-(butylsulfonylamino)-1-phenylpiperidine-2-carbonyl]-ethylamino]benzoate hydrochloride Traditional Name: 2-[[2-(butylsulfonylamino)-1-phenyl-pipecoloyl]-ethyl-amino]benzoic acid methyl ester hydrochloride Formula: C26H36ClN3O5S MolecularWeight: 538.09914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O5S.ClH/c1-4-6-20-35(32,33)27-26(18-12-13-19-29(26)21-14-8-7-9-15-21)25(31)28(5-2)23-17-11-10-16-22(23)24(30)34-3;/h7-11,14-17,27H,4-6,12-13,18-20H2,1-3H3;1H