N-[(1S)-1-(4-cyanophenyl)-2-nitro-ethyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(1S)-1-(4-cyanophenyl)-2-nitro-ethyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S)-1-(4-cyanophenyl)-2-nitro-ethyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1S)-1-(4-cyanophenyl)-2-nitroethyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1S)-1-(4-cyanophenyl)-2-nitroethyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S)-1-(4-cyanophenyl)-2-nitro-ethyl]-4-methyl-benzenesulfinamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-12-2-8-15(9-3-12)23(22)18-16(11-19(20)21)14-6-4-13(10-17)5-7-14/h2-9,16,18H,11H2,1H3/t16-,23+/m1/s1