N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

Systemtic Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-[2-(o-tolylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide CAS Name: N-[2-[(2-methylphenyl)methylthio]ethyl]-4-(1-pyrrolidinylsulfonylmethyl)benzamide IUPAC Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-[(2-methylbenzyl)thio]ethyl]-4-(pyrrolidinosulfonylmethyl)benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-18-6-2-3-7-21(18)16-28-15-12-23-22(25)20-10-8-19(9-11-20)17-29(26,27)24-13-4-5-14-24/h2-3,6-11H,4-5,12-17H2,1H3,(H,23,25)