methyl 6-[(4-butyl-2-methyl-phenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(4-butyl-2-methyl-phenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-butyl-2-methyl-phenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(4-butyl-2-methylanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-butyl-2-methylphenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-butyl-2-methyl-phenyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C26H37N3O5S MolecularWeight: 503.65408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)NCCCCC(C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C26H37N3O5S/c1-5-6-9-21-13-16-23(20(3)18-21)28-26(31)27-17-8-7-10-24(25(30)34-4)29-35(32,33)22-14-11-19(2)12-15-22/h11-16,18,24,29H,5-10,17H2,1-4H3,(H2,27,28,31)