2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]propionamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C(C)N(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C(C)N(C2=CC(=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S2/c1-16-7-6-8-20(12-16)15-28-10-9-23-22(25)19(4)24(29(5,26)27)21-13-17(2)11-18(3)14-21/h6-8,11-14,19H,9-10,15H2,1-5H3,(H,23,25)