4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[2-(o-tolylmethylsulfanyl)ethyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylthio]ethyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-[2-[(2-methylbenzyl)thio]ethyl]butyramide Formula: C22H29ClN2O3S2 MolecularWeight: 469.06026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O3S2/c1-17-7-4-5-8-19(17)16-29-14-12-24-22(26)9-6-13-25(30(3,27)28)21-15-20(23)11-10-18(21)2/h4-5,7-8,10-11,15H,6,9,12-14,16H2,1-3H3,(H,24,26)