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

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

Systemtic Name:(2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide
Openeye Name:(2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide
CAS Name:(2S)-2-(1-adamantylthio)-N-(1,3-benzodioxol-5-yl)propanamide
IUPAC Name:(2S)-2-(1-adamantylsulfanyl)-N-(1,3-benzodioxol-5-yl)propanamide
Traditional Name:(2S)-2-(1-adamantylthio)-N-(1,3-benzodioxol-5-yl)propionamide
Formula: C20H25NO3S
MolecularWeight: 359.4824
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC34CC5CC(C3)CC(C5)C4


Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C20H25NO3S/c1-12(19(22)21-16-2-3-17-18(7-16)24-11-23-17)25-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,20?/m0/s1


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