N-[(1R,2R)-2-(4-cyclohexylbutylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-(4-cyclohexylbutylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-(4-cyclohexylbutylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-2-(4-cyclohexylbutylamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-(4-cyclohexylbutylamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-2-(4-cyclohexylbutylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C31H34N2O2S MolecularWeight: 498.67886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)NCCCC[C]4[CH][CH][CH][CH][CH]4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NCCCC[C]4[CH][CH][CH][CH][CH]4

InChI

InChI=1S/C31H34N2O2S/c1-25-20-22-29(23-21-25)36(34,35)33-31(28-18-9-4-10-19-28)30(27-16-7-3-8-17-27)32-24-12-11-15-26-13-5-2-6-14-26/h2-10,13-14,16-23,30-33H,11-12,15,24H2,1H3/t30-,31-/m1/s1