[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C31H34N2O5S MolecularWeight: 546.67706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N2O5S/c34-30(26-16-14-25(15-17-26)24-8-3-1-4-9-24)23-38-31(35)27-10-7-13-29(22-27)39(36,37)33-20-18-32(19-21-33)28-11-5-2-6-12-28/h2,5-7,10-17,22,24H,1,3-4,8-9,18-21,23H2