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

Systemtic Name: 3-[(2-chloranyl-4-phenylmethoxy-phenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-benzyloxy-2-chloro-phenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(4-benzoxy-2-chloro-benzyl)-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-benzimidazole-5-carboxamide Formula: C28H28ClN3O4S MolecularWeight: 538.05762

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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)OCC4=CC=CC=C4)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)OCC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C28H28ClN3O4S/c1-3-4-8-15-37(34,35)31-28(33)22-12-14-26-27(16-22)32(20(2)30-26)18-23-11-13-24(17-25(23)29)36-19-21-9-6-5-7-10-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,33)/b15-8+