N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23N3O4S2/c1-15-8-9-16(13-17(15)28(25,26)21-10-4-2-5-11-21)20-18(23)14-27-19-7-3-6-12-22(19)24/h3,6-9,12-13H,2,4-5,10-11,14H2,1H3,(H,20,23)