2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]propanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]propanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]propionamide Formula: C20H25ClN2O3S2 MolecularWeight: 441.0071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3S2/c1-15-5-4-6-17(13-15)14-27-12-11-22-20(24)16(2)23(28(3,25)26)19-9-7-18(21)8-10-19/h4-10,13,16H,11-12,14H2,1-3H3,(H,22,24)