(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[2-[(1S)-1-methylpropyl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[2-[(1S)-1-methylpropyl]phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H22N2O2S/c1-4-13(2)15-9-5-6-10-16(15)19-18(21)14(3)23-17-11-7-8-12-20(17)22/h5-14H,4H2,1-3H3,(H,19,21)/t13-,14-/m0/s1