dimethyl 5-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C23H23N3O7S/c1-32-22(28)17-11-18(23(29)33-2)13-19(12-17)25-21(27)15-7-9-26(10-8-15)34(30,31)20-6-4-3-5-16(20)14-24/h3-6,11-13,15H,7-10H2,1-2H3,(H,25,27)