2-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[4-[(2,4-dichlorophenyl)sulfonyl-methylamino]butylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[4-[(2,4-dichlorophenyl)sulfonyl-methylamino]butylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[4-[(2,4-dichlorophenyl)sulfonyl-methyl-amino]butylthio]methyl]-2-hydroxy-succinic acid Formula: C16H21Cl2NO7S2 MolecularWeight: 474.37644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCSCC(CC(=O)O)(C(=O)O)O)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CN(CCCCSCC(CC(=O)O)(C(=O)O)O)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H21Cl2NO7S2/c1-19(28(25,26)13-5-4-11(17)8-12(13)18)6-2-3-7-27-10-16(24,15(22)23)9-14(20)21/h4-5,8,24H,2-3,6-7,9-10H2,1H3,(H,20,21)(H,22,23)