N-(4-bromanyl-3-methyl-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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