phenyl 2-methyl-3-[N-(4-nitrophenyl)sulfonyl-S-(phenylmethyl)sulfinimidoyl]propanoate

Systemtic Name: phenyl 2-methyl-3-[N-(4-nitrophenyl)sulfonyl-S-(phenylmethyl)sulfinimidoyl]propanoate Openeye Name: phenyl 3-[S-benzyl-N-(4-nitrophenyl)sulfonyl-sulfinimidoyl]-2-methyl-propanoate CAS Name: 2-methyl-3-[N-(4-nitrophenyl)sulfonyl-S-(phenylmethyl)sulfinimidoyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[S-benzyl-N-(4-nitrophenyl)sulfonylsulfinimidoyl]-2-methylpropanoate Traditional Name: 3-(S-benzyl-N-nosyl-sulfinimidoyl)-2-methyl-propionic acid phenyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C/S(=N\S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])/CC2=CC=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S2/c1-18(23(26)31-21-10-6-3-7-11-21)16-32(17-19-8-4-2-5-9-19)24-33(29,30)22-14-12-20(13-15-22)25(27)28/h2-15,18H,16-17H2,1H3