4-methyl-N-[(2S)-1-(4-nitrophenyl)sulfanyl-3-phenyl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S)-1-(4-nitrophenyl)sulfanyl-3-phenyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-benzyl-2-(4-nitrophenyl)sulfanyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(2S)-1-[(4-nitrophenyl)thio]-3-phenylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(2S)-1-(4-nitrophenyl)sulfanyl-3-phenylpropan-2-yl]benzenesulfonamide Traditional Name: N-[(1S)-1-benzyl-2-[(4-nitrophenyl)thio]ethyl]-4-methyl-benzenesulfonamide Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O4S2/c1-17-7-13-22(14-8-17)30(27,28)23-19(15-18-5-3-2-4-6-18)16-29-21-11-9-20(10-12-21)24(25)26/h2-14,19,23H,15-16H2,1H3/t19-/m0/s1