5-(2-azanyl-4-ethylsulfonyl-phenyl)sulfonyl-2-chloranyl-benzenesulfonic acid

Systemtic Name: 5-(2-azanyl-4-ethylsulfonyl-phenyl)sulfonyl-2-chloranyl-benzenesulfonic acid Openeye Name: 5-(2-amino-4-ethylsulfonyl-phenyl)sulfonyl-2-chloro-benzenesulfonic acid CAS Name: 5-(2-amino-4-ethylsulfonylphenyl)sulfonyl-2-chlorobenzenesulfonic acid IUPAC Name: 5-(2-amino-4-ethylsulfonylphenyl)sulfonyl-2-chlorobenzenesulfonic acid Traditional Name: 5-(2-amino-4-esyl-phenyl)sulfonyl-2-chloro-besylic acid Formula: C14H14ClNO7S3 MolecularWeight: 439.91146

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)O)N

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)O)N

InChI

InChI=1S/C14H14ClNO7S3/c1-2-24(17,18)9-4-6-13(12(16)7-9)25(19,20)10-3-5-11(15)14(8-10)26(21,22)23/h3-8H,2,16H2,1H3,(H,21,22,23)