methyl 6-[(2,5-dimethylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(2,5-dimethylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2,5-dimethylphenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2,5-dimethylanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,5-dimethylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2,5-dimethylphenyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-16-9-12-19(13-10-16)32(29,30)26-20(22(27)31-4)7-5-6-14-24-23(28)25-21-15-17(2)8-11-18(21)3/h8-13,15,20,26H,5-7,14H2,1-4H3,(H2,24,25,28)