(4-propoxyphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: (4-propoxyphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: (4-propoxyphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid (4-propoxyphenyl) ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

InChI=1S/C18H19N3O6S/c1-3-10-26-12-4-6-13(7-5-12)27-28(23,24)14-8-9-15-16(11-14)20-17(19-15)21-18(22)25-2/h4-9,11H,3,10H2,1-2H3,(H2,19,20,21,22)