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

Systemtic Name: methyl 6-[(4-cyanophenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-cyanophenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(4-cyanoanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-cyanophenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-cyanophenyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C22H26N4O5S/c1-16-6-12-19(13-7-16)32(29,30)26-20(21(27)31-2)5-3-4-14-24-22(28)25-18-10-8-17(15-23)9-11-18/h6-13,20,26H,3-5,14H2,1-2H3,(H2,24,25,28)