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

Systemtic Name: N-[(1R,2R)-2-(cyanomethylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-(cyanomethylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-2-(cyanomethylamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-(cyanomethylamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-2-(cyanomethylamino)-1,2-diphenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)NCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NCC#N

InChI

InChI=1S/C23H23N3O2S/c1-18-12-14-21(15-13-18)29(27,28)26-23(20-10-6-3-7-11-20)22(25-17-16-24)19-8-4-2-5-9-19/h2-15,22-23,25-26H,17H2,1H3/t22-,23-/m1/s1