2-[1-(dimethylsulfamoyl)-4-prop-2-enoxy-benzimidazol-2-yl]pyridine-3-carboxylate; propan-2-ylazanium

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-enoxy-benzimidazol-2-yl]pyridine-3-carboxylate; propan-2-ylazanium Openeye Name: 2-[4-allyloxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]pyridine-3-carboxylate; isopropylammonium CAS Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-enoxy-2-benzimidazolyl]-3-pyridinecarboxylate; propan-2-ylammonium IUPAC Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-enoxybenzimidazol-2-yl]pyridine-3-carboxylate; propan-2-ylazanium Traditional Name: 2-[4-allyloxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]nicotinate; isopropylammonium Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH3+].CN(C)S(=O)(=O)N1C2=C(C(=CC=C2)OCC=C)N=C1C3=C(C=CC=N3)C(=O)[O-]

Isomeric SMILES

CC(C)[NH3+].CN(C)S(=O)(=O)N1C2=C(C(=CC=C2)OCC=C)N=C1C3=C(C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C18H18N4O5S.C3H9N/c1-4-11-27-14-9-5-8-13-16(14)20-17(22(13)28(25,26)21(2)3)15-12(18(23)24)7-6-10-19-15;1-3(2)4/h4-10H,1,11H2,2-3H3,(H,23,24);3H,4H2,1-2H3