dimethyl 2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-hydroxy-5-pyrrolidinosulfonyl-benzoyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8S/c1-30-20(26)13-5-7-15(21(27)31-2)17(11-13)22-19(25)16-12-14(6-8-18(16)24)32(28,29)23-9-3-4-10-23/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,22,25)