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

Systemtic Name: dimethyl 5-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-benzylsulfonylisonipecotoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O7S/c1-31-22(27)18-12-19(23(28)32-2)14-20(13-18)24-21(26)17-8-10-25(11-9-17)33(29,30)15-16-6-4-3-5-7-16/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,24,26)