sodium [2-(methoxycarbonylamino)-5-(phenylsulfinyl)benzimidazol-1-yl]methyl phosphate

Systemtic Name: sodium [2-(methoxycarbonylamino)-5-(phenylsulfinyl)benzimidazol-1-yl]methyl phosphate Openeye Name: sodium [5-(benzenesulfinyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: sodium [5-(benzenesulfinyl)-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: sodium [5-(benzenesulfinyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: sodium [5-(benzenesulfinyl)-2-(carbomethoxyamino)benzimidazol-1-yl]methyl phosphate Formula: C16H14N3NaO7PS- MolecularWeight: 446.326791

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)S(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)S(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C16H16N3O7PS.Na/c1-25-16(20)18-15-17-13-9-12(28(24)11-5-3-2-4-6-11)7-8-14(13)19(15)10-26-27(21,22)23;/h2-9H,10H2,1H3,(H,17,18,20)(H2,21,22,23);/q;+1/p-2