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

Systemtic Name: [2-(morpholin-4-ylcarbonylamino)-3H-benzimidazol-5-yl] 4-morpholin-4-ylbenzenesulfonate Openeye Name: [2-(morpholine-4-carbonylamino)-3H-benzimidazol-5-yl] 4-morpholinobenzenesulfonate CAS Name: 4-(4-morpholinyl)benzenesulfonic acid [2-[[4-morpholinyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(morpholine-4-carbonylamino)-3H-benzimidazol-5-yl] 4-morpholin-4-ylbenzenesulfonate Traditional Name: 4-morpholinobenzenesulfonic acid [2-(morpholine-4-carbonylamino)-3H-benzimidazol-5-yl] ester Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)N5CCOCC5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)N5CCOCC5

InChI

InChI=1S/C22H25N5O6S/c28-22(27-9-13-32-14-10-27)25-21-23-19-6-3-17(15-20(19)24-21)33-34(29,30)18-4-1-16(2-5-18)26-7-11-31-12-8-26/h1-6,15H,7-14H2,(H2,23,24,25,28)