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

Systemtic Name: methyl 6-[(4-methylphenyl)methylcarbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-(p-tolylmethylcarbamoylamino)-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-methylphenyl)methylcarbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-methylbenzyl)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)CNC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

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