methyl 6-[(2,3-dimethylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(2,3-dimethylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2,3-dimethylphenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,3-dimethylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2,3-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=CC=CC(=C2C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=CC(=C2C)C)C(=O)OC

InChI

InChI=1S/C23H31N3O5S/c1-16-11-13-19(14-12-16)32(29,30)26-21(22(27)31-4)9-5-6-15-24-23(28)25-20-10-7-8-17(2)18(20)3/h7-8,10-14,21,26H,5-6,9,15H2,1-4H3,(H2,24,25,28)