4-methyl-N-[(1R,2R,4S)-4-phenylmethoxy-2-phenylsulfanyl-cyclohexyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(1R,2R,4S)-4-phenylmethoxy-2-phenylsulfanyl-cyclohexyl]benzenesulfonamide Openeye Name: N-[(1R,2R,4S)-4-benzyloxy-2-phenylsulfanyl-cyclohexyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(1R,2R,4S)-4-phenylmethoxy-2-(phenylthio)cyclohexyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(1R,2R,4S)-4-phenylmethoxy-2-phenylsulfanylcyclohexyl]benzenesulfonamide Traditional Name: N-[(1R,2R,4S)-4-benzoxy-2-(phenylthio)cyclohexyl]-4-methyl-benzenesulfonamide Formula: C26H29NO3S2 MolecularWeight: 467.64336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2SC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](C[C@H]2SC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO3S2/c1-20-12-15-24(16-13-20)32(28,29)27-25-17-14-22(30-19-21-8-4-2-5-9-21)18-26(25)31-23-10-6-3-7-11-23/h2-13,15-16,22,25-27H,14,17-19H2,1H3/t22-,25+,26+/m0/s1