2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C20H25BrN2O3S2 MolecularWeight: 485.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)CN(C2=CC(=C(C=C2)Br)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)CN(C2=CC(=C(C=C2)Br)C)S(=O)(=O)C

InChI

InChI=1S/C20H25BrN2O3S2/c1-15-5-4-6-17(11-15)14-27-10-9-22-20(24)13-23(28(3,25)26)18-7-8-19(21)16(2)12-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,24)