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

Systemtic Name: (3S)-N-[[4-(heptylsulfanylmethyl)phenyl]methyl]-3-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (3S)-N-[[4-(heptylsulfanylmethyl)phenyl]methyl]-3-hydroxy-pyrrolidine-2-carboxamide CAS Name: (3S)-N-[[4-[(heptylthio)methyl]phenyl]methyl]-3-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[[4-(heptylsulfanylmethyl)phenyl]methyl]-3-hydroxypyrrolidine-2-carboxamide Traditional Name: (3S)-N-[4-[(heptylthio)methyl]benzyl]-3-hydroxy-pyrrolidine-2-carboxamide Formula: C20H32N2O2S MolecularWeight: 364.54528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC1=CC=C(C=C1)CNC(=O)C2C(CCN2)O

Isomeric SMILES

CCCCCCCSCC1=CC=C(C=C1)CNC(=O)C2[C@H](CCN2)O

InChI

InChI=1S/C20H32N2O2S/c1-2-3-4-5-6-13-25-15-17-9-7-16(8-10-17)14-22-20(24)19-18(23)11-12-21-19/h7-10,18-19,21,23H,2-6,11-15H2,1H3,(H,22,24)/t18-,19?/m0/s1