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

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-hydroxyethylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-hydroxyethylamino)benzenesulfonate CAS Name: 4-(2-hydroxyethylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(2-hydroxyethylamino)benzenesulfonate Traditional Name: 4-(2-hydroxyethylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S/c1-26-17(23)21-16-19-14-7-4-12(10-15(14)20-16)27-28(24,25)13-5-2-11(3-6-13)18-8-9-22/h2-7,10,18,22H,8-9H2,1H3,(H2,19,20,21,23)