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

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(4-methylsulfanylphenyl)carbamoylamino]hexanoate Openeye Name: methyl 6-[(4-methylsulfanylphenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-6-[[[4-(methylthio)anilino]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(4-methylsulfanylphenyl)carbamoylamino]hexanoate Traditional Name: 6-[[4-(methylthio)phenyl]carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C22H29N3O5S2/c1-16-7-13-19(14-8-16)32(28,29)25-20(21(26)30-2)6-4-5-15-23-22(27)24-17-9-11-18(31-3)12-10-17/h7-14,20,25H,4-6,15H2,1-3H3,(H2,23,24,27)