(2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-piperonyl-propionamide Formula: C21H27NO3S MolecularWeight: 373.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27NO3S/c1-13(26-21-8-15-4-16(9-21)6-17(5-15)10-21)20(23)22-11-14-2-3-18-19(7-14)25-12-24-18/h2-3,7,13,15-17H,4-6,8-12H2,1H3,(H,22,23)/t13-,15?,16?,17?,21?/m0/s1