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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

COCCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

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