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

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[3-(4-methylphenyl)sulfanylpropyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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