2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)methylsulfanyl]-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C20H25ClN2O4S3 MolecularWeight: 489.0715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(S2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSCC2=CC=C(S2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25ClN2O4S3/c1-2-27-17-8-6-15(12-18(17)30(25,26)23-10-4-3-5-11-23)22-20(24)14-28-13-16-7-9-19(21)29-16/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,22,24)