methyl 4-methyl-3-[[1-(phenylmethyl)piperidin-4-yl]sulfamoyl]benzoate hydrochloride

Systemtic Name: methyl 4-methyl-3-[[1-(phenylmethyl)piperidin-4-yl]sulfamoyl]benzoate hydrochloride Openeye Name: methyl 3-[(1-benzyl-4-piperidyl)sulfamoyl]-4-methyl-benzoate hydrochloride CAS Name: 4-methyl-3-[[1-(phenylmethyl)-4-piperidinyl]sulfamoyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(1-benzylpiperidin-4-yl)sulfamoyl]-4-methylbenzoate hydrochloride Traditional Name: 3-[(1-benzyl-4-piperidyl)sulfamoyl]-4-methyl-benzoic acid methyl ester hydrochloride Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O4S.ClH/c1-16-8-9-18(21(24)27-2)14-20(16)28(25,26)22-19-10-12-23(13-11-19)15-17-6-4-3-5-7-17;/h3-9,14,19,22H,10-13,15H2,1-2H3;1H