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

Systemtic Name: 2-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[(4-amino-2,5-dichlorophenyl)sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[(4-amino-2,5-dichloro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid Formula: C9H12Cl2N2O5S2 MolecularWeight: 363.23798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12Cl2N2O5S2/c1-13(2-3-19(14,15)16)20(17,18)9-5-6(10)8(12)4-7(9)11/h4-5H,2-3,12H2,1H3,(H,14,15,16)