N-[4-(3-methylbutylsulfanylsulfonyl)phenyl]ethanamide

Systemtic Name: N-[4-(3-methylbutylsulfanylsulfonyl)phenyl]ethanamide Openeye Name: N-(4-isopentylsulfanylsulfonylphenyl)acetamide CAS Name: N-[4-(3-methylbutylthio)sulfonylphenyl]acetamide IUPAC Name: N-[4-(3-methylbutylsulfanylsulfonyl)phenyl]acetamide Traditional Name: N-[4-(isoamylthio)sulfonylphenyl]acetamide Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC(C)CCSS(=O)(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C13H19NO3S2/c1-10(2)8-9-18-19(16,17)13-6-4-12(5-7-13)14-11(3)15/h4-7,10H,8-9H2,1-3H3,(H,14,15)