3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-bromo-2-chloro-phenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(4-bromo-2-chloro-benzyl)-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide Formula: C21H21BrClN3O3S MolecularWeight: 510.83174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Br)Cl)C

Isomeric SMILES

CCC/C=C/S(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Br)Cl)C

InChI

InChI=1S/C21H21BrClN3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h5-12H,3-4,13H2,1-2H3,(H,25,27)/b10-5+