(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(3-morpholinosulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[3-(4-morpholinylsulfonyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(3-morpholinosulfonylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-14(27-17-7-2-3-8-21(17)23)18(22)19-15-5-4-6-16(13-15)28(24,25)20-9-11-26-12-10-20/h2-8,13-14H,9-12H2,1H3,(H,19,22)/t14-/m1/s1