[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(3-oxidanylpyridin-2-yl)amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[(3-oxidanylpyridin-2-yl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(3-hydroxy-2-pyridyl)amino]benzenesulfonate CAS Name: 4-[(3-hydroxy-2-pyridinyl)amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[(3-hydroxypyridin-2-yl)amino]benzenesulfonate Traditional Name: 4-[(3-hydroxy-2-pyridyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5=C(C=CC=N5)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NC5=C(C=CC=N5)O

InChI

InChI=1S/C22H19N5O5S/c28-19-2-1-11-23-20(19)24-14-5-8-16(9-6-14)33(30,31)32-15-7-10-17-18(12-15)26-22(25-17)27-21(29)13-3-4-13/h1-2,5-13,28H,3-4H2,(H,23,24)(H2,25,26,27,29)