dimethyl 2-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate CAS Name: 2-[[3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-piperidinosulfonylphenyl)sulfamoyl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H24N2O8S2/c1-30-20(24)15-9-10-18(21(25)31-2)19(13-15)32(26,27)22-16-7-6-8-17(14-16)33(28,29)23-11-4-3-5-12-23/h6-10,13-14,22H,3-5,11-12H2,1-2H3