[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C31H32N2O5S MolecularWeight: 544.66118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C31H32N2O5S/c1-4-5-19-32(26-14-8-6-9-15-26)39(36,37)28-18-12-13-25(21-28)31(35)38-22-30(34)29-20-23(2)33(24(29)3)27-16-10-7-11-17-27/h6-18,20-21H,4-5,19,22H2,1-3H3