1-ethyl-2-[(4-methoxyphenyl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(4-methoxyphenyl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(4-methoxyphenyl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[(4-methoxyphenyl)thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(4-methoxyphenyl)sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[(4-methoxyphenyl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H27N3O3S2/c1-3-25-21-12-11-19(30(26,27)24-13-5-4-6-14-24)15-20(21)23-22(25)16-29-18-9-7-17(28-2)8-10-18/h7-12,15H,3-6,13-14,16H2,1-2H3