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

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholin-4-ylethylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholinoethylamino)benzenesulfonate CAS Name: 4-[2-(4-morpholinyl)ethylamino]benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-morpholin-4-ylethylamino)benzenesulfonate Traditional Name: 4-(2-morpholinoethylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCCN4CCOCC4

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCCN4CCOCC4

InChI

InChI=1S/C21H25N5O6S/c1-30-21(27)25-20-23-18-7-4-16(14-19(18)24-20)32-33(28,29)17-5-2-15(3-6-17)22-8-9-26-10-12-31-13-11-26/h2-7,14,22H,8-13H2,1H3,(H2,23,24,25,27)