dimethyl 5-[(4-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C21H22N2O7S/c1-29-20(25)15-11-16(21(26)30-2)13-18(12-15)31(27,28)22-17-7-5-14(6-8-17)19(24)23-9-3-4-10-23/h5-8,11-13,22H,3-4,9-10H2,1-2H3