phenyl 3-[S-hexyl-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]propanoate

Systemtic Name: phenyl 3-[S-hexyl-N-(4-methylphenyl)sulfonyl-sulfinimidoyl]propanoate Openeye Name: phenyl 3-[S-hexyl-N-(p-tolylsulfonyl)sulfinimidoyl]propanoate CAS Name: 3-[S-hexyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[S-hexyl-N-(4-methylphenyl)sulfonylsulfinimidoyl]propanoate Traditional Name: 3-(S-hexyl-N-tosyl-sulfinimidoyl)propionic acid phenyl ester Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=NS(=O)(=O)C1=CC=C(C=C1)C)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCC/S(=N\S(=O)(=O)C1=CC=C(C=C1)C)/CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H29NO4S2/c1-3-4-5-9-17-28(18-16-22(24)27-20-10-7-6-8-11-20)23-29(25,26)21-14-12-19(2)13-15-21/h6-8,10-15H,3-5,9,16-18H2,1-2H3