(1-methylpiperidin-3-yl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate hydrochloride

Systemtic Name: (1-methylpiperidin-3-yl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate hydrochloride Openeye Name: (1-methyl-3-piperidyl) 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate hydrochloride CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid (1-methyl-3-piperidinyl) ester hydrochloride IUPAC Name: (1-methylpiperidin-3-yl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate hydrochloride Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (1-methyl-3-piperidyl) ester hydrochloride Formula: C20H31ClN2O4S MolecularWeight: 430.98914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3CCCN(C3)C)C.Cl

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3CCCN(C3)C)C.Cl

InChI

InChI=1S/C20H30N2O4S.ClH/c1-15-10-16(2)13-22(12-15)27(24,25)19-8-4-6-17(11-19)20(23)26-18-7-5-9-21(3)14-18;/h4,6,8,11,15-16,18H,5,7,9-10,12-14H2,1-3H3;1H