N,4-dimethyl-N-[4-[2-[4-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-N-[4-[2-[4-[2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]ethanoyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenesulfonamide Openeye Name: N,4-dimethyl-N-[4-[2-[4-[2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetyl]-1,4-diazepan-1-yl]-2-oxo-ethoxy]phenyl]benzenesulfonamide CAS Name: N,4-dimethyl-N-[4-[2-[4-[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-1-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethoxy]phenyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-N-[4-[2-[4-[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]-1,4-diazepan-1-yl]-2-oxoethoxy]phenyl]benzenesulfonamide Traditional Name: N-[4-[2-keto-2-[4-[2-[4-[methyl(tosyl)amino]phenoxy]acetyl]-1,4-diazepan-1-yl]ethoxy]phenyl]-N,4-dimethyl-benzenesulfonamide Formula: C37H42N4O8S2 MolecularWeight: 734.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CCCN(CC3)C(=O)COC4=CC=C(C=C4)N(C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3CCCN(CC3)C(=O)COC4=CC=C(C=C4)N(C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C37H42N4O8S2/c1-28-6-18-34(19-7-28)50(44,45)38(3)30-10-14-32(15-11-30)48-26-36(42)40-22-5-23-41(25-24-40)37(43)27-49-33-16-12-31(13-17-33)39(4)51(46,47)35-20-8-29(2)9-21-35/h6-21H,5,22-27H2,1-4H3