methyl 6-[3-[4-[(4-tert-butylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propylamino]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[3-[4-[(4-tert-butylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propylamino]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[3-[4-[(4-tert-butylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]butyl-(2,4,6-trimethylphenyl)sulfonyl-amino]propylamino]-6-oxo-hexanoate CAS Name: 6-[3-[4-[(4-tert-butylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]propylamino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[3-[4-[(4-tert-butylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]propylamino]-6-oxohexanoate Traditional Name: 6-[3-[4-[(4-tert-butylbenzyl)-mesitylsulfonyl-amino]butyl-mesitylsulfonyl-amino]propylamino]-6-keto-hexanoic acid methyl ester Formula: C43H63N3O7S2 MolecularWeight: 798.10622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCN(CC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C)CCCNC(=O)CCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCN(CC2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C)CCCNC(=O)CCCCC(=O)OC)C

InChI

InChI=1S/C43H63N3O7S2/c1-31-26-33(3)41(34(4)27-31)54(49,50)45(25-15-22-44-39(47)16-11-12-17-40(48)53-10)23-13-14-24-46(30-37-18-20-38(21-19-37)43(7,8)9)55(51,52)42-35(5)28-32(2)29-36(42)6/h18-21,26-29H,11-17,22-25,30H2,1-10H3,(H,44,47)