phenyl 2-(ethoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: phenyl 2-(ethoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: phenyl 2-(ethoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(ethoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid phenyl ester IUPAC Name: phenyl 2-(ethoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbethoxyamino)-3H-benzimidazole-5-sulfonic acid phenyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O5S/c1-2-23-16(20)19-15-17-13-9-8-12(10-14(13)18-15)25(21,22)24-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,17,18,19,20)