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

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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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)NCC4CCCO4

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCCO4

InChI

InChI=1S/C20H22N4O6S/c1-28-20(25)24-19-22-17-9-6-14(11-18(17)23-19)30-31(26,27)16-7-4-13(5-8-16)21-12-15-3-2-10-29-15/h4-9,11,15,21H,2-3,10,12H2,1H3,(H2,22,23,24,25)