tert-butyl N,N-bis[3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N,N-bis[3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propyl]carbamate Openeye Name: tert-butyl N,N-bis[3-[benzyl(p-tolylsulfonyl)amino]propyl]carbamate CAS Name: N,N-bis[3-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N,N-bis[3-[benzyl-(4-methylphenyl)sulfonylamino]propyl]carbamate Traditional Name: N,N-bis[3-[benzyl(tosyl)amino]propyl]carbamic acid tert-butyl ester Formula: C39H49N3O6S2 MolecularWeight: 719.95286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(CCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(CCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C39H49N3O6S2/c1-32-18-22-36(23-19-32)49(44,45)41(30-34-14-8-6-9-15-34)28-12-26-40(38(43)48-39(3,4)5)27-13-29-42(31-35-16-10-7-11-17-35)50(46,47)37-24-20-33(2)21-25-37/h6-11,14-25H,12-13,26-31H2,1-5H3