N-[(2S,3S)-4-naphthalen-2-ylsulfanyl-1,3-bis(oxidanyl)butan-2-yl]heptanamide

Systemtic Name: N-[(2S,3S)-4-naphthalen-2-ylsulfanyl-1,3-bis(oxidanyl)butan-2-yl]heptanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-3-(2-naphthylsulfanyl)propyl]heptanamide CAS Name: N-[(2S,3S)-1,3-dihydroxy-4-(2-naphthalenylthio)butan-2-yl]heptanamide IUPAC Name: N-[(2S,3S)-1,3-dihydroxy-4-naphthalen-2-ylsulfanylbutan-2-yl]heptanamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-3-(2-naphthylthio)propyl]enanthamide Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(CO)C(CSC1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CCCCCCC(=O)N[C@@H](CO)[C@@H](CSC1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C21H29NO3S/c1-2-3-4-5-10-21(25)22-19(14-23)20(24)15-26-18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-13,19-20,23-24H,2-5,10,14-15H2,1H3,(H,22,25)/t19-,20+/m0/s1