3-ethylsulfanyl-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]-2-benzofuran-1-amine

Systemtic Name: 3-ethylsulfanyl-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]-2-benzofuran-1-amine Openeye Name: 3-ethylsulfanyl-N-methyl-N-[(E)-4-(p-tolylsulfonyl)but-3-enyl]isobenzofuran-1-amine CAS Name: 3-(ethylthio)-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]-1-isobenzofuranamine IUPAC Name: 3-ethylsulfanyl-N-methyl-N-[(E)-4-(4-methylphenyl)sulfonylbut-3-enyl]-2-benzofuran-1-amine Traditional Name: [3-(ethylthio)isobenzofuran-1-yl]-methyl-[(E)-4-tosylbut-3-enyl]amine Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C=CC=CC2=C(O1)N(C)CCC=CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCSC1=C2C=CC=CC2=C(O1)N(C)CC/C=C/S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO3S2/c1-4-27-22-20-10-6-5-9-19(20)21(26-22)23(3)15-7-8-16-28(24,25)18-13-11-17(2)12-14-18/h5-6,8-14,16H,4,7,15H2,1-3H3/b16-8+