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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-pyridylmethylamino)benzenesulfonate CAS Name: 4-(2-pyridinylmethylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(2-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=CC=CC=N5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCC5=CC=CC=N5

InChI

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