4-methyl-N-[4-(4-methylphenoxy)carbothioyloxypentan-2-yl]-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-(4-methylphenoxy)carbothioyloxypentan-2-yl]-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: 4-methyl-N-[1-methyl-3-(4-methylphenoxy)carbothioyloxy-butyl]-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: 4-methyl-N-[4-[(4-methylphenoxy)-sulfanylidenemethoxy]pentan-2-yl]-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: 4-methyl-N-[4-(4-methylphenoxy)carbothioyloxypentan-2-yl]-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: 4-methyl-N-[1-methyl-3-(4-methylphenoxy)carbothioyloxy-butyl]-N-tosyl-benzenesulfonamide Formula: C27H31NO6S3 MolecularWeight: 561.73314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=S)OC(C)CC(C)N(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=S)OC(C)CC(C)N(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO6S3/c1-19-6-12-24(13-7-19)34-27(35)33-23(5)18-22(4)28(36(29,30)25-14-8-20(2)9-15-25)37(31,32)26-16-10-21(3)11-17-26/h6-17,22-23H,18H2,1-5H3