(phenylmethyl) 1-(4-methoxyphenyl)sulfonyl-3-(2-methylpropyl)aziridine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-methoxyphenyl)sulfonyl-3-(2-methylpropyl)aziridine-2-carboxylate Openeye Name: benzyl 3-isobutyl-1-(4-methoxyphenyl)sulfonyl-aziridine-2-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-(2-methylpropyl)-2-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-methoxyphenyl)sulfonyl-3-(2-methylpropyl)aziridine-2-carboxylate Traditional Name: 3-isobutyl-1-(4-methoxyphenyl)sulfonyl-ethylenimine-2-carboxylic acid benzyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(N1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(N1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S/c1-15(2)13-19-20(21(23)27-14-16-7-5-4-6-8-16)22(19)28(24,25)18-11-9-17(26-3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3