N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-2-(o-tolylthio)acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N(C)C

InChI

InChI=1S/C22H29N3O3S2/c1-17-9-5-6-10-21(17)29-16-22(26)23-19-15-18(11-12-20(19)24(2)3)30(27,28)25-13-7-4-8-14-25/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3,(H,23,26)