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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-4-ylmethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(4-pyridylmethylamino)benzenesulfonate CAS Name: 4-(pyridin-4-ylmethylamino)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(pyridin-4-ylmethylamino)benzenesulfonate Traditional Name: 4-(4-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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O4S/c29-22(16-1-2-16)28-23-26-20-8-5-18(13-21(20)27-23)32-33(30,31)19-6-3-17(4-7-19)25-14-15-9-11-24-12-10-15/h3-13,16,25H,1-2,14H2,(H2,26,27,28,29)