3-(3,4-dimethoxyphenyl)sulfanyl-N-oxidanyl-7-phenyl-2-[2-(phenylsulfonyl)ethyl]heptanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfanyl-N-oxidanyl-7-phenyl-2-[2-(phenylsulfonyl)ethyl]heptanamide Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanehydroxamic acid CAS Name: 2-[2-(benzenesulfonyl)ethyl]-3-[(3,4-dimethoxyphenyl)thio]-N-hydroxy-7-phenylheptanamide IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfanyl-N-hydroxy-7-phenylheptanamide Traditional Name: 2-(2-besylethyl)-3-[(3,4-dimethoxyphenyl)thio]-7-phenyl-heptanehydroxamic acid Formula: C29H35NO6S2 MolecularWeight: 557.7213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(CCCCC2=CC=CC=C2)C(CCS(=O)(=O)C3=CC=CC=C3)C(=O)NO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC(CCCCC2=CC=CC=C2)C(CCS(=O)(=O)C3=CC=CC=C3)C(=O)NO)OC

InChI

InChI=1S/C29H35NO6S2/c1-35-26-18-17-23(21-27(26)36-2)37-28(16-10-9-13-22-11-5-3-6-12-22)25(29(31)30-32)19-20-38(33,34)24-14-7-4-8-15-24/h3-8,11-12,14-15,17-18,21,25,28,32H,9-10,13,16,19-20H2,1-2H3,(H,30,31)