[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonate CAS Name: 4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonate Traditional Name: 4-[2-(1H-imidazol-5-yl)ethylamino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H22N6O4S MolecularWeight: 466.51288

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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)NCCC5=CN=CN5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCC5=CN=CN5

InChI

InChI=1S/C22H22N6O4S/c29-21(14-1-2-14)28-22-26-19-8-5-17(11-20(19)27-22)32-33(30,31)18-6-3-15(4-7-18)24-10-9-16-12-23-13-25-16/h3-8,11-14,24H,1-2,9-10H2,(H,23,25)(H2,26,27,28,29)