4-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzenesulfonic acid Openeye Name: 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzenesulfonic acid CAS Name: 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzenesulfonic acid IUPAC Name: 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzenesulfonic acid Traditional Name: 4-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]besylic acid Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=C(C=C2)S(=O)(=O)O)N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=C(C=C2)S(=O)(=O)O)N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H14N4O4S/c18-16-15(17-19-12-3-1-2-4-13(12)20-17)14(22)9-21(16)10-5-7-11(8-6-10)26(23,24)25/h1-8H,9,18H2,(H,19,20)(H,23,24,25)