(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)CSC4=CC=CC=C4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC(=O)CSC4=CC=CC=C4C

InChI

InChI=1S/C24H29N3O4S2/c1-3-27-21-12-11-19(33(29,30)26-13-7-4-8-14-26)15-20(21)25-23(27)16-31-24(28)17-32-22-10-6-5-9-18(22)2/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3