N-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Systemtic Name: N-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide Openeye Name: N-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide CAS Name: N-[2,2-bis(ethylthio)ethyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide IUPAC Name: N-[2,2-bis(ethylsulfanyl)ethyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide Traditional Name: N-[2,2-bis(ethylthio)ethyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide Formula: C22H27NO2S3 MolecularWeight: 433.65028

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CN(CC#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)SCC

Isomeric SMILES

CCSC(CN(CC#CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)SCC

InChI

InChI=1S/C22H27NO2S3/c1-4-26-22(27-5-2)18-23(17-9-12-20-10-7-6-8-11-20)28(24,25)21-15-13-19(3)14-16-21/h6-8,10-11,13-16,22H,4-5,17-18H2,1-3H3