tert-butyl 4-[4-(4-cyanophenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(p-tolylsulfonylamino)butanoate CAS Name: 4-[4-(4-cyanophenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoate Traditional Name: 4-[4-(4-cyanophenyl)butylamino]-4-keto-2-(tosylamino)butyric acid tert-butyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCCCC2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCCCC2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O5S/c1-19-8-14-22(15-9-19)35(32,33)29-23(25(31)34-26(2,3)4)17-24(30)28-16-6-5-7-20-10-12-21(18-27)13-11-20/h8-15,23,29H,5-7,16-17H2,1-4H3,(H,28,30)