methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylsulfanyl]-3-oxidanyl-butanoate

Systemtic Name: methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylsulfanyl]-3-oxidanyl-butanoate Openeye Name: methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylsulfanyl]-3-hydroxy-butanoate CAS Name: 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonyl-methylamino]butylthio]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonyl-methylamino]butylsulfanyl]-3-hydroxybutanoate Traditional Name: 3-cyano-4-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylthio]-3-hydroxy-butyric acid methyl ester Formula: C17H22Cl2N2O5S2 MolecularWeight: 469.40298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCSCC(CC(=O)OC)(C#N)O)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CN(CCCCSCC(CC(=O)OC)(C#N)O)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C17H22Cl2N2O5S2/c1-21(28(24,25)15-6-5-13(18)9-14(15)19)7-3-4-8-27-12-17(23,11-20)10-16(22)26-2/h5-6,9,23H,3-4,7-8,10,12H2,1-2H3