[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholin-4-ylethylamino)benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholin-4-ylethylamino)benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholinoethylamino)benzenesulfonate CAS Name: 4-[2-(4-morpholinyl)ethylamino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholin-4-ylethylamino)benzenesulfonate Traditional Name: 4-(2-morpholinoethylamino)benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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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)NCCN5CCOCC5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCN5CCOCC5

InChI

InChI=1S/C23H27N5O5S/c29-22(16-1-2-16)27-23-25-20-8-5-18(15-21(20)26-23)33-34(30,31)19-6-3-17(4-7-19)24-9-10-28-11-13-32-14-12-28/h3-8,15-16,24H,1-2,9-14H2,(H2,25,26,27,29)