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

Systemtic Name: (3S)-N-[4-(hexylsulfanylmethyl)phenyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (3S)-N-[4-(hexylsulfanylmethyl)phenyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: (3S)-N-[4-[(hexylthio)methyl]phenyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(hexylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: (3S)-N-[4-[(hexylthio)methyl]phenyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C18H28N2O2S MolecularWeight: 336.49212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1=CC=C(C=C1)NC(=O)C2C(CCN2)O

Isomeric SMILES

CCCCCCSCC1=CC=C(C=C1)NC(=O)C2[C@H](CCN2)O

InChI

InChI=1S/C18H28N2O2S/c1-2-3-4-5-12-23-13-14-6-8-15(9-7-14)20-18(22)17-16(21)10-11-19-17/h6-9,16-17,19,21H,2-5,10-13H2,1H3,(H,20,22)/t16-,17?/m0/s1