[1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H23NO5S/c1-15-14-21(16(2)24(15)19-8-6-5-7-9-19)22(25)17(3)29-23(26)18-10-12-20(13-11-18)30(4,27)28/h5-14,17H,1-4H3