4-[(Z)-2-chloranyl-2-[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-chloranyl-2-[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-chloro-2-[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]vinyl]benzoic acid CAS Name: 4-[(Z)-2-chloro-2-[5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]ethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-chloro-2-[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]ethenyl]benzoic acid Traditional Name: 4-[(Z)-2-chloro-2-[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]vinyl]benzoic acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C(=CC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1/C(=C/C3=CC=C(C=C3)C(=O)O)/Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-4-11-25-19-10-9-16(30(28,29)24(2)3)13-18(19)23-20(25)17(22)12-14-5-7-15(8-6-14)21(26)27/h5-10,12-13H,4,11H2,1-3H3,(H,26,27)/b17-12-