methyl 6-[(6-ethoxy-6-oxidanylidene-hexyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(6-ethoxy-6-oxidanylidene-hexyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(6-ethoxy-6-oxo-hexyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[(6-ethoxy-6-oxohexyl)amino]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(6-ethoxy-6-oxohexyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(6-ethoxy-6-keto-hexyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C23H37N3O7S MolecularWeight: 499.62078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C23H37N3O7S/c1-4-33-21(27)11-6-5-8-16-24-23(29)25-17-9-7-10-20(22(28)32-3)26-34(30,31)19-14-12-18(2)13-15-19/h12-15,20,26H,4-11,16-17H2,1-3H3,(H2,24,25,29)