2-[(2-methylphenyl)methylsulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(o-tolylmethylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(2-methylphenyl)methylthio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(2-methylbenzyl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23NO3S2/c1-16-6-2-3-7-18(16)14-25-15-20(22)17-8-10-19(11-9-17)26(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-15H2,1H3