2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)-methylsulfonyl-amino]-N-[4-methyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-N-methylsulfonyl-anilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[4-methyl-3-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-N-methylsulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-anilino)-N-[3-(2-ketopyrrolidino)-4-methyl-phenyl]acetamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C)N3CCCC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C)N3CCCC3=O

InChI

InChI=1S/C20H22BrN3O4S/c1-14-5-8-16(12-18(14)23-11-3-4-20(23)26)22-19(25)13-24(29(2,27)28)17-9-6-15(21)7-10-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,25)