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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCCSCC2=CC=CC=C2C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCCSCC2=CC=CC=C2C)S(=O)(=O)C

InChI

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