[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-chlorophenyl)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] 2-[(4-chlorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]benzoic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H23ClN2O5S MolecularWeight: 486.96782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H23ClN2O5S/c1-4-13-27-16(2)14-21(17(27)3)23(28)15-32-24(29)20-7-5-6-8-22(20)26-33(30,31)19-11-9-18(25)10-12-19/h4-12,14,26H,1,13,15H2,2-3H3