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

Systemtic Name: methyl 6-[(4-acetamidophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-acetamidophenyl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-acetamidophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-acetamidophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-acetamidophenyl)sulfonylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H29N3O7S2 MolecularWeight: 511.61156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)OC

InChI

InChI=1S/C22H29N3O7S2/c1-16-7-11-20(12-8-16)34(30,31)25-21(22(27)32-3)6-4-5-15-23-33(28,29)19-13-9-18(10-14-19)24-17(2)26/h7-14,21,23,25H,4-6,15H2,1-3H3,(H,24,26)