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

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=CC=CC=[N+]3[O-]

InChI

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