(1-methylpiperidin-3-yl) 3-(azepan-1-ylsulfonyl)benzoate hydrochloride

Systemtic Name: (1-methylpiperidin-3-yl) 3-(azepan-1-ylsulfonyl)benzoate hydrochloride Openeye Name: (1-methyl-3-piperidyl) 3-(azepan-1-ylsulfonyl)benzoate hydrochloride CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (1-methyl-3-piperidinyl) ester hydrochloride IUPAC Name: (1-methylpiperidin-3-yl) 3-(azepan-1-ylsulfonyl)benzoate hydrochloride Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (1-methyl-3-piperidyl) ester hydrochloride Formula: C19H29ClN2O4S MolecularWeight: 416.96256

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3.Cl

Isomeric SMILES

CN1CCCC(C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3.Cl

InChI

InChI=1S/C19H28N2O4S.ClH/c1-20-11-7-9-17(15-20)25-19(22)16-8-6-10-18(14-16)26(23,24)21-12-4-2-3-5-13-21;/h6,8,10,14,17H,2-5,7,9,11-13,15H2,1H3;1H