ethyl 2-[(4-acetamidophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(4-acetamidophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-acetamidophenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetamidophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C23H31N3O7S2 MolecularWeight: 525.63814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H31N3O7S2/c1-4-33-23(28)22(26-35(31,32)21-14-10-19(11-15-21)25-18(3)27)7-5-6-16-24-34(29,30)20-12-8-17(2)9-13-20/h8-15,22,24,26H,4-7,16H2,1-3H3,(H,25,27)