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

Systemtic Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[1-[2-(1-cyclohexenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H29NO5S/c1-17-14-22(18(2)25(17)13-12-19-8-5-4-6-9-19)23(26)16-30-24(27)20-10-7-11-21(15-20)31(3,28)29/h7-8,10-11,14-15H,4-6,9,12-13,16H2,1-3H3