N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(benzylthio)-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N2O4S2/c1-2-28-20-12-11-19(15-21(20)30(26,27)24-13-7-4-8-14-24)23-22(25)17-29-16-18-9-5-3-6-10-18/h3,5-6,9-12,15H,2,4,7-8,13-14,16-17H2,1H3,(H,23,25)