2-azanyl-4-[[4-(1-hydroxyethylsulfonyl)-2-nitro-phenyl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(1-hydroxyethylsulfonyl)-2-nitro-phenyl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[4-(1-hydroxyethylsulfonyl)-2-nitro-anilino]benzenesulfonic acid CAS Name: 2-amino-4-[4-(1-hydroxyethylsulfonyl)-2-nitroanilino]benzenesulfonic acid IUPAC Name: 2-amino-4-[4-(1-hydroxyethylsulfonyl)-2-nitroanilino]benzenesulfonic acid Traditional Name: 2-amino-4-[4-(1-hydroxyethylsulfonyl)-2-nitro-anilino]besylic acid Formula: C14H15N3O8S2 MolecularWeight: 417.4142

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

CC(O)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O8S2/c1-8(18)26(21,22)10-3-4-12(13(7-10)17(19)20)16-9-2-5-14(11(15)6-9)27(23,24)25/h2-8,16,18H,15H2,1H3,(H,23,24,25)