methyl 6-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-chloro-2-methoxyphenyl)carbamothioylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H28ClN3O5S2 MolecularWeight: 514.05782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O5S2/c1-15-7-10-17(11-8-15)33(28,29)26-18(21(27)31-3)6-4-5-13-24-22(32)25-19-14-16(23)9-12-20(19)30-2/h7-12,14,18,26H,4-6,13H2,1-3H3,(H2,24,25,32)