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

Systemtic Name: dimethyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C23H26N2O7S/c1-31-22(27)17-13-18(23(28)32-2)15-19(14-17)24-21(26)10-7-16-5-8-20(9-6-16)33(29,30)25-11-3-4-12-25/h5-6,8-9,13-15H,3-4,7,10-12H2,1-2H3,(H,24,26)