2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-phenethyl-acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-phenethylacetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-phenethylacetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-phenethyl-acetamide Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C)Br

InChI

InChI=1S/C18H21BrN2O3S/c1-14-12-16(8-9-17(14)19)21(25(2,23)24)13-18(22)20-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)