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

Systemtic Name: 3-[(2-chloranyl-4-phenylmethoxy-phenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-benzyloxy-2-chloro-phenyl)methyl]-2-methyl-N-[(E)-styryl]sulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(4-benzoxy-2-chloro-benzyl)-2-methyl-N-[(E)-styryl]sulfonyl-benzimidazole-5-carboxamide Formula: C31H26ClN3O4S MolecularWeight: 572.07384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)OCC4=CC=CC=C4)Cl)C=C(C=C2)C(=O)NS(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)OCC4=CC=CC=C4)Cl)C=C(C=C2)C(=O)NS(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H26ClN3O4S/c1-22-33-29-15-13-25(31(36)34-40(37,38)17-16-23-8-4-2-5-9-23)18-30(29)35(22)20-26-12-14-27(19-28(26)32)39-21-24-10-6-3-7-11-24/h2-19H,20-21H2,1H3,(H,34,36)/b17-16+