dimethyl 2-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(2-oxo-1-piperidyl)phenyl]sulfonylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[4-(2-oxo-1-piperidinyl)phenyl]sulfonylamino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-(2-ketopiperidino)phenyl]sulfonylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)N3CCCCC3=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)N3CCCCC3=O

InChI

InChI=1S/C21H22N2O7S/c1-29-20(25)14-6-11-17(21(26)30-2)18(13-14)22-31(27,28)16-9-7-15(8-10-16)23-12-4-3-5-19(23)24/h6-11,13,22H,3-5,12H2,1-2H3