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

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-morpholin-4-ylbenzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-morpholinobenzenesulfonate CAS Name: 4-(4-morpholinyl)benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-morpholin-4-ylbenzenesulfonate Traditional Name: 4-morpholinobenzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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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)N5CCOCC5

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C21H22N4O5S/c26-20(14-1-2-14)24-21-22-18-8-5-16(13-19(18)23-21)30-31(27,28)17-6-3-15(4-7-17)25-9-11-29-12-10-25/h3-8,13-14H,1-2,9-12H2,(H2,22,23,24,26)