methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(4-cyanophenyl)sulfonylisonipecotoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H25N3O7S/c1-31-20-12-18(23(28)33-3)19(13-21(20)32-2)25-22(27)16-8-10-26(11-9-16)34(29,30)17-6-4-15(14-24)5-7-17/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,27)