[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-chloro-3-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3R)-3-methylpiperidino]sulfonyl-benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-15-5-8-18(9-6-15)24-21(26)14-30-22(27)17-7-10-19(23)20(12-17)31(28,29)25-11-3-4-16(2)13-25/h5-10,12,16H,3-4,11,13-14H2,1-2H3,(H,24,26)/t16-/m1/s1