O1-methyl O4-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester O1-methyl 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)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-29-20(25)15-7-9-16(10-8-15)21(26)30-14-19(24)22-17-5-4-6-18(13-17)31(27,28)23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,24)