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

Systemtic Name: methyl 6-[(4-cyanophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-cyanophenyl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-cyanophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-cyanophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-cyanophenyl)sulfonylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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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)C#N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S2/c1-16-6-10-19(11-7-16)32(28,29)24-20(21(25)30-2)5-3-4-14-23-31(26,27)18-12-8-17(15-22)9-13-18/h6-13,20,23-24H,3-5,14H2,1-2H3