2-azanyl-4-[[4-(2-hydroxyethylsulfonyl)-2-nitro-phenyl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(2-hydroxyethylsulfonyl)-2-nitro-phenyl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[4-(2-hydroxyethylsulfonyl)-2-nitro-anilino]benzenesulfonic acid CAS Name: 2-amino-4-[4-(2-hydroxyethylsulfonyl)-2-nitroanilino]benzenesulfonic acid IUPAC Name: 2-amino-4-[4-(2-hydroxyethylsulfonyl)-2-nitroanilino]benzenesulfonic acid Traditional Name: 2-amino-4-[4-(2-hydroxyethylsulfonyl)-2-nitro-anilino]besylic acid Formula: C14H15N3O8S2 MolecularWeight: 417.4142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2)S(=O)(=O)CCO)[N+](=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)S(=O)(=O)CCO)[N+](=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C14H15N3O8S2/c15-11-7-9(1-4-14(11)27(23,24)25)16-12-3-2-10(8-13(12)17(19)20)26(21,22)6-5-18/h1-4,7-8,16,18H,5-6,15H2,(H,23,24,25)