4-methyl-N-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]benzenesulfinamide

Systemtic Name: 4-methyl-N-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]benzenesulfinamide Openeye Name: 4-methyl-N-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]benzenesulfinamide CAS Name: 4-methyl-N-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]benzenesulfinamide IUPAC Name: 4-methyl-N-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]benzenesulfinamide Traditional Name: 4-methyl-N-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]benzenesulfinamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-14-7-11-17(12-8-14)23(22)18-16(13-19(20)21)10-9-15-5-3-2-4-6-15/h2-12,16,18H,13H2,1H3/b10-9+/t16-,23-/m0/s1