ethyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-aziridine-2-carboxylate

Systemtic Name: ethyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-aziridine-2-carboxylate Openeye Name: ethyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(p-tolylsulfonyl)aziridine-2-carboxylate CAS Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate Traditional Name: (2R,3S)-3-(1,3-benzodioxol-5-yl)-1-tosyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19NO6S/c1-3-24-19(21)18-17(13-6-9-15-16(10-13)26-11-25-15)20(18)27(22,23)14-7-4-12(2)5-8-14/h4-10,17-18H,3,11H2,1-2H3/t17-,18+,20?/m0/s1