[[1H-benzimidazol-2-yl(methyl)carbamoyl]-imidazol-1-yl-amino] benzenesulfonate

Systemtic Name: [[1H-benzimidazol-2-yl(methyl)carbamoyl]-imidazol-1-yl-amino] benzenesulfonate Openeye Name: [[1H-benzimidazol-2-yl(methyl)carbamoyl]-imidazol-1-yl-amino] benzenesulfonate CAS Name: benzenesulfonic acid [[[1H-benzimidazol-2-yl(methyl)amino]-oxomethyl]-(1-imidazolyl)amino] ester IUPAC Name: [[1H-benzimidazol-2-yl(methyl)carbamoyl]-imidazol-1-ylamino] benzenesulfonate Traditional Name: benzenesulfonic acid [[1H-benzimidazol-2-yl(methyl)carbamoyl]-imidazol-1-yl-amino] ester Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=CC=CC=C2N1)C(=O)N(N3C=CN=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=NC2=CC=CC=C2N1)C(=O)N(N3C=CN=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6O4S/c1-22(17-20-15-9-5-6-10-16(15)21-17)18(25)24(23-12-11-19-13-23)28-29(26,27)14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21)