dimethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonylmethyl)phenyl]methyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-(pyrrolidinosulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7S/c1-30-21(26)17-9-10-18(22(27)31-2)19(13-17)23-20(25)16-7-5-15(6-8-16)14-32(28,29)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)