2-[[(E)-2-(4-chloranyl-3-methyl-phenyl)ethenyl]sulfonylmethyl]-1-methylsulfonyl-benzimidazole

Systemtic Name: 2-[[(E)-2-(4-chloranyl-3-methyl-phenyl)ethenyl]sulfonylmethyl]-1-methylsulfonyl-benzimidazole Openeye Name: 2-[[(E)-2-(4-chloro-3-methyl-phenyl)vinyl]sulfonylmethyl]-1-methylsulfonyl-benzimidazole CAS Name: 2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1-methylsulfonylbenzimidazole IUPAC Name: 2-[[(E)-2-(4-chloro-3-methylphenyl)ethenyl]sulfonylmethyl]-1-methylsulfonylbenzimidazole Traditional Name: 2-[[(E)-2-(4-chloro-3-methyl-phenyl)vinyl]sulfonylmethyl]-1-mesyl-benzimidazole Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CS(=O)(=O)CC2=NC3=CC=CC=C3N2S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/S(=O)(=O)CC2=NC3=CC=CC=C3N2S(=O)(=O)C)Cl

InChI

InChI=1S/C18H17ClN2O4S2/c1-13-11-14(7-8-15(13)19)9-10-27(24,25)12-18-20-16-5-3-4-6-17(16)21(18)26(2,22)23/h3-11H,12H2,1-2H3/b10-9+