[2-[(4-methylphenyl)sulfonylmethylamino]-2-oxidanylidene-1-[(2R,3S)-3-prop-2-enyloxiran-2-yl]ethyl] benzoate

Systemtic Name: [2-[(4-methylphenyl)sulfonylmethylamino]-2-oxidanylidene-1-[(2R,3S)-3-prop-2-enyloxiran-2-yl]ethyl] benzoate Openeye Name: [1-[(2R,3S)-3-allyloxiran-2-yl]-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl] benzoate CAS Name: benzoic acid [2-[(4-methylphenyl)sulfonylmethylamino]-2-oxo-1-[(2R,3S)-3-prop-2-enyl-2-oxiranyl]ethyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonylmethylamino]-2-oxo-1-[(2R,3S)-3-prop-2-enyloxiran-2-yl]ethyl] benzoate Traditional Name: benzoic acid [1-[(2R,3S)-3-allyloxiran-2-yl]-2-keto-2-(tosylmethylamino)ethyl] ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(C2C(O2)CC=C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C([C@H]2[C@@H](O2)CC=C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO6S/c1-3-7-18-19(28-18)20(29-22(25)16-8-5-4-6-9-16)21(24)23-14-30(26,27)17-12-10-15(2)11-13-17/h3-6,8-13,18-20H,1,7,14H2,2H3,(H,23,24)/t18-,19+,20?/m0/s1