[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(methylsulfonylamino)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(methylsulfonylamino)benzoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C24H26N2O5S/c1-17-15-21(18(2)26(17)14-13-19-9-5-4-6-10-19)23(27)16-31-24(28)20-11-7-8-12-22(20)25-32(3,29)30/h4-12,15,25H,13-14,16H2,1-3H3