dimethyl 5-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-piperidinosulfonylphenyl)sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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