N-[(1S,2S)-1-(2-fluorophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2S)-1-(2-fluorophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-1-(2-fluorophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-1-(2-fluorophenyl)-2-nitro-3-phenylbut-3-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-1-(2-fluorophenyl)-2-nitro-3-phenylbut-3-enyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-1-(2-fluorophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2F)C(C(=C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2F)[C@H](C(=C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21FN2O4S/c1-16-12-14-19(15-13-16)31(29,30)25-22(20-10-6-7-11-21(20)24)23(26(27)28)17(2)18-8-4-3-5-9-18/h3-15,22-23,25H,2H2,1H3/t22-,23-/m0/s1