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

Systemtic Name: methyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-15-4-9-20(14-16(15)2)30(27,28)24-12-10-17(11-13-24)21(25)23-19-7-5-18(6-8-19)22(26)29-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,25)