[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)aziridin-2-yl]-phenyl-methanone

Systemtic Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)aziridin-2-yl]-phenyl-methanone Openeye Name: [(2R,3S)-3-(3-nitrophenyl)-1-(p-tolylsulfonyl)aziridin-2-yl]-phenyl-methanone CAS Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-2-aziridinyl]-phenylmethanone IUPAC Name: [(2R,3S)-1-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)aziridin-2-yl]-phenylmethanone Traditional Name: [(2R,3S)-3-(3-nitrophenyl)-1-tosyl-ethylenimin-2-yl]-phenyl-methanone Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]2C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5S/c1-15-10-12-19(13-11-15)30(28,29)23-20(17-8-5-9-18(14-17)24(26)27)21(23)22(25)16-6-3-2-4-7-16/h2-14,20-21H,1H3/t20-,21+,23?/m0/s1