dimethyl 5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-pyrrolidinosulfonylbenzoyl)amino]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)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

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

InChI

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