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

Systemtic Name: methyl 6-[(2,4-dichlorophenyl)methylcarbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2,4-dichlorophenyl)methylcarbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[[(2,4-dichlorophenyl)methylamino]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,4-dichlorophenyl)methylcarbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2,4-dichlorobenzyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C22H27Cl2N3O5S MolecularWeight: 516.43788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NCC2=C(C=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NCC2=C(C=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C22H27Cl2N3O5S/c1-15-6-10-18(11-7-15)33(30,31)27-20(21(28)32-2)5-3-4-12-25-22(29)26-14-16-8-9-17(23)13-19(16)24/h6-11,13,20,27H,3-5,12,14H2,1-2H3,(H2,25,26,29)