2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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