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

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H27NO6S/c1-17-15-23(18(2)26(17)14-13-19-5-9-21(31-3)10-6-19)24(27)16-32-25(28)20-7-11-22(12-8-20)33(4,29)30/h5-12,15H,13-14,16H2,1-4H3