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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-3-ylmethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(3-pyridylmethylamino)benzenesulfonate CAS Name: 4-(3-pyridinylmethylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-3-ylmethylamino)benzenesulfonate Traditional Name: 4-(3-pyridylmethylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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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=CN=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CN=CC=C5

InChI

InChI=1S/C23H21N5O4S/c29-22(16-3-4-16)28-23-26-20-10-7-18(12-21(20)27-23)32-33(30,31)19-8-5-17(6-9-19)25-14-15-2-1-11-24-13-15/h1-2,5-13,16,25H,3-4,14H2,(H2,26,27,28,29)