methyl 4-chloranyl-3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)C

InChI

InChI=1S/C22H25ClN2O5S/c1-14-4-6-18(12-15(14)2)31(28,29)25-10-8-16(9-11-25)21(26)24-20-13-17(22(27)30-3)5-7-19(20)23/h4-7,12-13,16H,8-11H2,1-3H3,(H,24,26)