2-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[2-(o-tolylmethylsulfanyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[2-[(2-methylphenyl)methylthio]ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-[(2-methylbenzyl)thio]ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCSCC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCSCC3=CC=CC=C3C

InChI

InChI=1S/C22H28N2O3S2/c1-17-7-3-4-8-19(17)16-28-14-11-23-22(25)21-15-20(10-9-18(21)2)29(26,27)24-12-5-6-13-24/h3-4,7-10,15H,5-6,11-14,16H2,1-2H3,(H,23,25)