methyl 4-[[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(4-methoxy-3-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-methoxy-3-methyl-phenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-15-14-19(8-9-20(15)29-2)31(27,28)24-12-10-16(11-13-24)21(25)23-18-6-4-17(5-7-18)22(26)30-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)