methyl 3-[S-dodecan-2-yl-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]propanoate

Systemtic Name: methyl 3-[S-dodecan-2-yl-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]propanoate Openeye Name: methyl 3-[S-(1-methylundecyl)-N-(p-tolylsulfonyl)sulfinimidoyl]propanoate CAS Name: 3-[S-dodecan-2-yl-N-(4-methylphenyl)sulfonylsulfinimidoyl]propanoic acid methyl ester IUPAC Name: methyl 3-[S-dodecan-2-yl-N-(4-methylphenyl)sulfonylsulfinimidoyl]propanoate Traditional Name: 3-[S-(1-methylundecyl)-N-tosyl-sulfinimidoyl]propionic acid methyl ester Formula: C23H39NO4S2 MolecularWeight: 457.69006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)S(=NS(=O)(=O)C1=CC=C(C=C1)C)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCC(C)/S(=N/S(=O)(=O)C1=CC=C(C=C1)C)/CCC(=O)OC

InChI

InChI=1S/C23H39NO4S2/c1-5-6-7-8-9-10-11-12-13-21(3)29(19-18-23(25)28-4)24-30(26,27)22-16-14-20(2)15-17-22/h14-17,21H,5-13,18-19H2,1-4H3