(2S,3S)-N-[4-(4-hexylsulfanylbutyl)phenyl]-3-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,3S)-N-[4-(4-hexylsulfanylbutyl)phenyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,3S)-N-[4-(4-hexylsulfanylbutyl)phenyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S,3S)-N-[4-[4-(hexylthio)butyl]phenyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,3S)-N-[4-(4-hexylsulfanylbutyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S,3S)-N-[4-[4-(hexylthio)butyl]phenyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCCC1=CC=C(C=C1)NC(=O)C2C(CCN2)O

Isomeric SMILES

CCCCCCSCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](CCN2)O

InChI

InChI=1S/C21H34N2O2S/c1-2-3-4-6-15-26-16-7-5-8-17-9-11-18(12-10-17)23-21(25)20-19(24)13-14-22-20/h9-12,19-20,22,24H,2-8,13-16H2,1H3,(H,23,25)/t19-,20-/m0/s1