methyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-3-(4-methylphenyl)sulfonyloxy-butanoate

Systemtic Name: methyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-3-(4-methylphenyl)sulfonyloxy-butanoate Openeye Name: methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-3-(p-tolylsulfonyloxy)butanoate CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-3-(4-methylphenyl)sulfonyloxybutanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)sulfonyloxybutanoate Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]amino]-3-tosyloxy-butyric acid methyl ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(=O)OC)NC(=O)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C(=O)OC)NC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO7S/c1-13-4-10-17(11-5-13)30(25,26)29-14(2)19(20(24)27-3)22-18(23)12-28-16-8-6-15(21)7-9-16/h4-11,14,19H,12H2,1-3H3,(H,22,23)