[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N(C)C)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N(C)C)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-16-8-7-13-26(15-16)32(29,30)20-14-18(11-12-19(20)24)23(28)31-21(22(27)25(2)3)17-9-5-4-6-10-17/h4-6,9-12,14,16,21H,7-8,13,15H2,1-3H3