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

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(allylsulfamoyl)benzoate CAS Name: 3-(prop-2-enylsulfamoyl)benzoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(prop-2-enylsulfamoyl)benzoate Traditional Name: 3-(allylsulfamoyl)benzoic acid [2-(1-isopropyl-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:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C

InChI

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