5-[[4-(2-acetyloxyethylsulfonyl)phenyl]carbonylamino]-2-azanyl-benzenesulfonic acid

Systemtic Name: 5-[[4-(2-acetyloxyethylsulfonyl)phenyl]carbonylamino]-2-azanyl-benzenesulfonic acid Openeye Name: 5-[[4-(2-acetoxyethylsulfonyl)benzoyl]amino]-2-amino-benzenesulfonic acid CAS Name: 5-[[[4-(2-acetyloxyethylsulfonyl)phenyl]-oxomethyl]amino]-2-aminobenzenesulfonic acid IUPAC Name: 5-[[4-(2-acetyloxyethylsulfonyl)benzoyl]amino]-2-aminobenzenesulfonic acid Traditional Name: 5-[[4-(2-acetoxyethylsulfonyl)benzoyl]amino]-2-amino-besylic acid Formula: C17H18N2O8S2 MolecularWeight: 442.46342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C17H18N2O8S2/c1-11(20)27-8-9-28(22,23)14-5-2-12(3-6-14)17(21)19-13-4-7-15(18)16(10-13)29(24,25)26/h2-7,10H,8-9,18H2,1H3,(H,19,21)(H,24,25,26)