4-methyl-N-[(R)-[(1S,6S)-2-oxidanylidene-6-(phenylmethylsulfanyl)cyclohexyl]-phenyl-methyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(R)-[(1S,6S)-2-oxidanylidene-6-(phenylmethylsulfanyl)cyclohexyl]-phenyl-methyl]benzenesulfonamide Openeye Name: N-[(R)-[(1S,2S)-2-benzylsulfanyl-6-oxo-cyclohexyl]-phenyl-methyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(R)-[(1S,6S)-2-oxo-6-(phenylmethylthio)cyclohexyl]-phenylmethyl]benzenesulfonamide IUPAC Name: N-[(R)-[(1S,2S)-2-benzylsulfanyl-6-oxocyclohexyl]-phenylmethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(R)-[(1S,2S)-2-(benzylthio)-6-keto-cyclohexyl]-phenyl-methyl]-4-methyl-benzenesulfonamide Formula: C27H29NO3S2 MolecularWeight: 479.65406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2C(CCCC2=O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]2[C@H](CCCC2=O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO3S2/c1-20-15-17-23(18-16-20)33(30,31)28-27(22-11-6-3-7-12-22)26-24(29)13-8-14-25(26)32-19-21-9-4-2-5-10-21/h2-7,9-12,15-18,25-28H,8,13-14,19H2,1H3/t25-,26-,27-/m0/s1