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

Systemtic Name: (2-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: o-tolyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid o-tolyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

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