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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O5S/c1-4-13-27-18(2)14-23(19(27)3)24(28)17-32-25(29)21-11-8-12-22(15-21)33(30,31)26-16-20-9-6-5-7-10-20/h5-12,14-15,26H,4,13,16-17H2,1-3H3