3-[(2-chloranyl-4-hexyl-phenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-hexyl-phenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-hexyl-phenyl)methyl]-2-methyl-N-[(E)-styryl]sulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-hexylphenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-hexylphenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(2-chloro-4-hexyl-benzyl)-2-methyl-N-[(E)-styryl]sulfonyl-benzimidazole-5-carboxamide Formula: C30H32ClN3O3S MolecularWeight: 550.11138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)C=CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)/C=C/C4=CC=CC=C4)C)Cl

InChI

InChI=1S/C30H32ClN3O3S/c1-3-4-5-7-12-24-13-14-26(27(31)19-24)21-34-22(2)32-28-16-15-25(20-29(28)34)30(35)33-38(36,37)18-17-23-10-8-6-9-11-23/h6,8-11,13-20H,3-5,7,12,21H2,1-2H3,(H,33,35)/b18-17+