dimethyl 2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-pyrrolidinosulfonylbenzoyl)amino]benzene-1,4-dicarboxylic acid dimethyl 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)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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