N-(2-bromanyl-4-methyl-phenyl)-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-bromo-4-methyl-phenyl)benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(2-bromo-4-methylphenyl)benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-bromo-4-methylphenyl)benzamide Traditional Name: 4-(4-acetylpiperazino)sulfonyl-N-(2-bromo-4-methyl-phenyl)benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)Br

InChI

InChI=1S/C20H22BrN3O4S/c1-14-3-8-19(18(21)13-14)22-20(26)16-4-6-17(7-5-16)29(27,28)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3,(H,22,26)