2-[(4-azanyl-3-chloranyl-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(4-azanyl-3-chloranyl-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[(4-amino-3-chloro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[(4-amino-3-chlorophenyl)sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[(4-amino-3-chlorophenyl)sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[(4-amino-3-chloro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid Formula: C9H13ClN2O5S2 MolecularWeight: 328.79292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13ClN2O5S2/c1-12(4-5-18(13,14)15)19(16,17)7-2-3-9(11)8(10)6-7/h2-3,6H,4-5,11H2,1H3,(H,13,14,15)