2-[[2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-4-sulfanyl-butanoic acid CAS Name: 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-4-mercaptobutanoic acid IUPAC Name: 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-4-sulfanylbutanoic acid Traditional Name: 2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-4-mercapto-butyric acid Formula: C11H13Cl2NO4S2 MolecularWeight: 358.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13Cl2NO4S2/c1-14(9(4-5-19)11(15)16)20(17,18)10-6-7(12)2-3-8(10)13/h2-3,6,9,19H,4-5H2,1H3,(H,15,16)