2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(3-piperidinosulfonylphenyl)acetamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O4S2/c22-17(14-26-18-9-2-5-12-21(18)23)19-15-7-6-8-16(13-15)27(24,25)20-10-3-1-4-11-20/h2,5-9,12-13H,1,3-4,10-11,14H2,(H,19,22)