[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(propylsulfamoyl)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(propylsulfamoyl)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(propylsulfamoyl)benzoate CAS Name: 3-(propylsulfamoyl)benzoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate Traditional Name: 3-(propylsulfamoyl)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC=C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-10-22-29(26,27)18-9-7-8-17(13-18)21(25)28-14-20(24)19-12-15(3)23(11-6-2)16(19)4/h6-9,12-13,22H,2,5,10-11,14H2,1,3-4H3