4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethyl]benzenesulfonamide Openeye Name: N,N-bis[2-[benzyl(p-tolylsulfonyl)amino]ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethyl]benzenesulfonamide IUPAC Name: N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide Traditional Name: N,N-bis[2-[benzyl(tosyl)amino]ethyl]-4-methyl-benzenesulfonamide Formula: C39H43N3O6S3 MolecularWeight: 745.97022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)CCN(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)CCN(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C39H43N3O6S3/c1-32-14-20-37(21-15-32)49(43,44)40(26-28-41(30-35-10-6-4-7-11-35)50(45,46)38-22-16-33(2)17-23-38)27-29-42(31-36-12-8-5-9-13-36)51(47,48)39-24-18-34(3)19-25-39/h4-25H,26-31H2,1-3H3