N-(2-methyl-5-sulfooxy-benzimidazol-2-yl)carbamate; 1-phenylimidazole

Systemtic Name: N-(2-methyl-5-sulfooxy-benzimidazol-2-yl)carbamate; 1-phenylimidazole Openeye Name: N-(2-methyl-5-sulfooxy-benzimidazol-2-yl)carbamate; 1-phenylimidazole CAS Name: N-(2-methyl-5-sulfooxy-2-benzimidazolyl)carbamate; 1-phenylimidazole IUPAC Name: N-(2-methyl-5-sulfooxybenzimidazol-2-yl)carbamate; 1-phenylimidazole Traditional Name: N-(2-methyl-5-sulfoxy-benzimidazol-2-yl)carbamate; 1-phenylimidazole Formula: C18H16N5O6S- MolecularWeight: 430.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C2C=CC(=CC2=N1)OS(=O)(=O)O)NC(=O)[O-].C1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

CC1(N=C2C=CC(=CC2=N1)OS(=O)(=O)O)NC(=O)[O-].C1=CC=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C9H9N3O6S.C9H8N2/c1-9(12-8(13)14)10-6-3-2-5(4-7(6)11-9)18-19(15,16)17;1-2-4-9(5-3-1)11-7-6-10-8-11/h2-4,12H,1H3,(H,13,14)(H,15,16,17);1-8H/p-1