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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfonylamino]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(benzylsulfonylamino)benzoate CAS Name: 3-[(phenylmethyl)sulfonylamino]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-(benzylsulfonylamino)benzoate Traditional Name: 3-(benzylsulfonylamino)benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O5S/c1-4-13-27-18(2)14-23(19(27)3)24(28)16-32-25(29)21-11-8-12-22(15-21)26-33(30,31)17-20-9-6-5-7-10-20/h4-12,14-15,26H,1,13,16-17H2,2-3H3