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

Systemtic Name: methyl 6-(butylcarbamoylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-(butylcarbamoylamino)-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[butylamino(oxo)methyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-(butylcarbamoylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(butylcarbamoylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C19H31N3O5S MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCNC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H31N3O5S/c1-4-5-13-20-19(24)21-14-7-6-8-17(18(23)27-3)22-28(25,26)16-11-9-15(2)10-12-16/h9-12,17,22H,4-8,13-14H2,1-3H3,(H2,20,21,24)