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

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonyl-methyl-amino]ethanesulfonic acid Formula: C9H11ClN2O7S2 MolecularWeight: 358.77584

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H11ClN2O7S2/c1-11(4-5-20(15,16)17)21(18,19)7-2-3-8(10)9(6-7)12(13)14/h2-3,6H,4-5H2,1H3,(H,15,16,17)