[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(furan-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(furan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-furylmethylamino)benzenesulfonate CAS Name: 4-(2-furanylmethylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(furan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(2-furfurylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H20N4O5S MolecularWeight: 452.483

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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)NCC5=CC=CO5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CC=CO5

InChI

InChI=1S/C22H20N4O5S/c27-21(14-3-4-14)26-22-24-19-10-7-16(12-20(19)25-22)31-32(28,29)18-8-5-15(6-9-18)23-13-17-2-1-11-30-17/h1-2,5-12,14,23H,3-4,13H2,(H2,24,25,26,27)