2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H25ClN2O5S2/c23-19-12-16(13-20-22(19)30-11-10-29-20)14-31-15-21(26)24-17-4-6-18(7-5-17)32(27,28)25-8-2-1-3-9-25/h4-7,12-13H,1-3,8-11,14-15H2,(H,24,26)