2,2-dimethyl-1-[(2S,3R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[(2S,3R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[(2S,3R)-3-(p-tolyl)-1-(p-tolylsulfonyl)aziridin-2-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[(2S,3R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2-aziridinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[(2S,3R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[(2S,3R)-3-(p-tolyl)-1-tosyl-ethylenimin-2-yl]propan-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H](N2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C(C)(C)C

InChI

InChI=1S/C21H25NO3S/c1-14-6-10-16(11-7-14)18-19(20(23)21(3,4)5)22(18)26(24,25)17-12-8-15(2)9-13-17/h6-13,18-19H,1-5H3/t18-,19+,22?/m1/s1