(1-methylpiperidin-3-yl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate hydrochloride

Systemtic Name: (1-methylpiperidin-3-yl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate hydrochloride Openeye Name: (1-methyl-3-piperidyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate hydrochloride CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid (1-methyl-3-piperidinyl) ester hydrochloride IUPAC Name: (1-methylpiperidin-3-yl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate hydrochloride Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid (1-methyl-3-piperidyl) ester hydrochloride Formula: C21H27ClN2O6S MolecularWeight: 470.96688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)OC.Cl

Isomeric SMILES

CN1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)OC.Cl

InChI

InChI=1S/C21H26N2O6S.ClH/c1-23-12-6-7-15(14-23)29-21(24)17-8-4-5-9-18(17)22-30(25,26)16-10-11-19(27-2)20(13-16)28-3;/h4-5,8-11,13,15,22H,6-7,12,14H2,1-3H3;1H