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

Systemtic Name: methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-15-6-8-20(13-17(15)3)31(28,29)25-11-9-18(10-12-25)22(26)24-21-14-19(23(27)30-4)7-5-16(21)2/h5-8,13-14,18H,9-12H2,1-4H3,(H,24,26)