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

Systemtic Name: (3S)-N-[4-(2-hexylsulfanylethyl)phenyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (3S)-N-[4-(2-hexylsulfanylethyl)phenyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: (3S)-N-[4-[2-(hexylthio)ethyl]phenyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(2-hexylsulfanylethyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: (3S)-N-[4-[2-(hexylthio)ethyl]phenyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCC1=CC=C(C=C1)NC(=O)C2C(CCN2)O

Isomeric SMILES

CCCCCCSCCC1=CC=C(C=C1)NC(=O)C2[C@H](CCN2)O

InChI

InChI=1S/C19H30N2O2S/c1-2-3-4-5-13-24-14-11-15-6-8-16(9-7-15)21-19(23)18-17(22)10-12-20-18/h6-9,17-18,20,22H,2-5,10-14H2,1H3,(H,21,23)/t17-,18?/m0/s1