2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-(4-bromo-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O3S2/c1-15-4-3-5-16(12-15)14-26-11-10-21-19(23)13-22(27(2,24)25)18-8-6-17(20)7-9-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,23)