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

Systemtic Name: (4-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: p-tolyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-sulfonic acid p-tolyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC

InChI

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