N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-2-propan-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-phenyl)-2-propan-2-ylsulfanyl-ethanamide Openeye Name: 2-isopropylsulfanyl-N-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)phenyl]-2-(propan-2-ylthio)acetamide IUPAC Name: N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)-2-propan-2-ylsulfanylacetamide Traditional Name: 2-(isopropylthio)-N-(2-piperidino-5-piperidinosulfonyl-phenyl)acetamide Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCC3

Isomeric SMILES

CC(C)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCCC3

InChI

InChI=1S/C21H33N3O3S2/c1-17(2)28-16-21(25)22-19-15-18(29(26,27)24-13-7-4-8-14-24)9-10-20(19)23-11-5-3-6-12-23/h9-10,15,17H,3-8,11-14,16H2,1-2H3,(H,22,25)