(1-ethylpiperidin-3-yl) 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate hydrochloride

Systemtic Name: (1-ethylpiperidin-3-yl) 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate hydrochloride Openeye Name: (1-ethyl-3-piperidyl) 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate hydrochloride CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid (1-ethyl-3-piperidinyl) ester hydrochloride IUPAC Name: (1-ethylpiperidin-3-yl) 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate hydrochloride Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid (1-ethyl-3-piperidyl) ester hydrochloride Formula: C21H26ClFN2O4S MolecularWeight: 456.958543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)F)C.Cl

Isomeric SMILES

CCN1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=C(C=C(C=C3)F)C.Cl

InChI

InChI=1S/C21H25FN2O4S.ClH/c1-3-24-12-6-7-17(14-24)28-21(25)18-8-4-5-9-19(18)23-29(26,27)20-11-10-16(22)13-15(20)2;/h4-5,8-11,13,17,23H,3,6-7,12,14H2,1-2H3;1H