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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)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-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-4-13-26-17(2)14-22(18(26)3)23(27)16-31-24(28)19-9-8-10-20(15-19)25-32(29,30)21-11-6-5-7-12-21/h4-12,14-15,25H,1,13,16H2,2-3H3