2-azanyl-5-[[2-azanyl-4-(2-hydroxyethylsulfonyl)phenyl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[[2-azanyl-4-(2-hydroxyethylsulfonyl)phenyl]amino]benzenesulfonic acid Openeye Name: 2-amino-5-[2-amino-4-(2-hydroxyethylsulfonyl)anilino]benzenesulfonic acid CAS Name: 2-amino-5-[2-amino-4-(2-hydroxyethylsulfonyl)anilino]benzenesulfonic acid IUPAC Name: 2-amino-5-[2-amino-4-(2-hydroxyethylsulfonyl)anilino]benzenesulfonic acid Traditional Name: 2-amino-5-[2-amino-4-(2-hydroxyethylsulfonyl)anilino]besylic acid Formula: C14H17N3O6S2 MolecularWeight: 387.43128

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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)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)S(=O)(=O)CCO)N)S(=O)(=O)O)N

InChI

InChI=1S/C14H17N3O6S2/c15-11-3-1-9(7-14(11)25(21,22)23)17-13-4-2-10(8-12(13)16)24(19,20)6-5-18/h1-4,7-8,17-18H,5-6,15-16H2,(H,21,22,23)