propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid propyl ester IUPAC Name: propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid propyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC

Isomeric SMILES

CCCOS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C12H15N3O5S/c1-3-6-20-21(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)