N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(thiophen-2-ylmethylsulfanyl)ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(thiophen-2-ylmethylsulfanyl)ethanamide Openeye Name: N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-thienylmethylsulfanyl)acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-(thiophen-2-ylmethylthio)acetamide IUPAC Name: N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide Traditional Name: N-(2-ethoxy-5-piperidinosulfonyl-phenyl)-2-(2-thenylthio)acetamide Formula: C20H26N2O4S3 MolecularWeight: 454.62644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C20H26N2O4S3/c1-2-26-19-9-8-17(29(24,25)22-10-4-3-5-11-22)13-18(19)21-20(23)15-27-14-16-7-6-12-28-16/h6-9,12-13H,2-5,10-11,14-15H2,1H3,(H,21,23)