[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H31NO6S/c1-32-24-14-13-22(17-25(24)34(30,31)27-15-5-6-16-27)26(29)33-18-23(28)21-11-9-20(10-12-21)19-7-3-2-4-8-19/h9-14,17,19H,2-8,15-16,18H2,1H3