N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-[2-(m-tolylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide CAS Name: N-[2-[(3-methylphenyl)methylthio]ethyl]-4-(1-pyrrolidinylsulfonylmethyl)benzamide IUPAC Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-[(3-methylbenzyl)thio]ethyl]-4-(pyrrolidinosulfonylmethyl)benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC=C(C=C2)CS(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-18-5-4-6-20(15-18)16-28-14-11-23-22(25)21-9-7-19(8-10-21)17-29(26,27)24-12-2-3-13-24/h4-10,15H,2-3,11-14,16-17H2,1H3,(H,23,25)