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

Systemtic Name: methyl 6-[(2-chlorophenyl)methylcarbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2-chlorophenyl)methylcarbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[(2-chlorophenyl)methylamino]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chlorophenyl)methylcarbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2-chlorobenzyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NCC2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NCC2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C22H28ClN3O5S/c1-16-10-12-18(13-11-16)32(29,30)26-20(21(27)31-2)9-5-6-14-24-22(28)25-15-17-7-3-4-8-19(17)23/h3-4,7-8,10-13,20,26H,5-6,9,14-15H2,1-2H3,(H2,24,25,28)