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

Systemtic Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(4-oxidanylbutylamino)benzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxybutylamino)benzenesulfonate CAS Name: 4-(4-hydroxybutylamino)benzenesulfonic acid [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(4-hydroxybutylamino)benzenesulfonate Traditional Name: 4-(4-hydroxybutylamino)benzenesulfonic acid [2-(carbomethoxyamino)-3H-benzimidazol-5-yl] ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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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)NCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6S/c1-28-19(25)23-18-21-16-9-6-14(12-17(16)22-18)29-30(26,27)15-7-4-13(5-8-15)20-10-2-3-11-24/h4-9,12,20,24H,2-3,10-11H2,1H3,(H2,21,22,23,25)