N-(2-bromanyl-5-methyl-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2-bromanyl-5-methyl-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2-bromo-5-methyl-phenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(2-bromo-5-methylphenyl)-3-[oxo-(3-oxo-1-piperazinyl)methyl]benzenesulfonamide IUPAC Name: N-(2-bromo-5-methylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(2-bromo-5-methyl-phenyl)-3-(3-ketopiperazine-1-carbonyl)benzenesulfonamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H18BrN3O4S/c1-12-5-6-15(19)16(9-12)21-27(25,26)14-4-2-3-13(10-14)18(24)22-8-7-20-17(23)11-22/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,23)