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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O5S/c1-18-13-15-20(16-14-18)35(32,33)29-22(24(30)34-6)12-7-8-17-27-25(31)28-23-19(2)10-9-11-21(23)26(3,4)5/h9-11,13-16,22,29H,7-8,12,17H2,1-6H3,(H2,27,28,31)