N-[3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-oxidanylidene-cyclohexyl]ethynyl]phenyl]methanesulfonamide Openeye Name: N-[3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-oxo-cyclohexyl]ethynyl]phenyl]methanesulfonamide CAS Name: N-[3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxocyclohexyl]ethynyl]phenyl]methanesulfonamide Traditional Name: N-[3-[2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-keto-cyclohexyl]ethynyl]phenyl]methanesulfonamide Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)NS(=O)(=O)C)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)NS(=O)(=O)C)OC4CCCC4

InChI

InChI=1S/C27H31NO5S/c1-32-25-13-12-21(18-26(25)33-24-10-3-4-11-24)27(15-6-9-23(29)19-27)16-14-20-7-5-8-22(17-20)28-34(2,30)31/h5,7-8,12-13,17-18,24,28H,3-4,6,9-11,15,19H2,1-2H3