N-[4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(2S)-2-(1-adamantylthio)-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(2S)-2-(1-adamantylsulfanyl)propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2S)-2-(1-adamantylthio)propanoyl]phenyl]methanesulfonamide Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO3S2/c1-13(19(22)17-3-5-18(6-4-17)21-26(2,23)24)25-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16,21H,7-12H2,1-2H3/t13-,14?,15?,16?,20?/m0/s1