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

Systemtic Name: N-[(1S,2S)-1-(4-cyanophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-1-(4-cyanophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-1-(4-cyanophenyl)-2-nitro-3-phenylbut-3-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-1-(4-cyanophenyl)-2-nitro-3-phenylbut-3-enyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-1-(4-cyanophenyl)-2-nitro-3-phenyl-but-3-enyl]-4-methyl-benzenesulfonamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H21N3O4S/c1-17-8-14-22(15-9-17)32(30,31)26-23(21-12-10-19(16-25)11-13-21)24(27(28)29)18(2)20-6-4-3-5-7-20/h3-15,23-24,26H,2H2,1H3/t23-,24-/m0/s1