methyl 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C22H26N2O7S/c1-29-19-9-8-16(14-20(19)30-2)32(27,28)24-12-10-15(11-13-24)21(25)23-18-7-5-4-6-17(18)22(26)31-3/h4-9,14-15H,10-13H2,1-3H3,(H,23,25)