N-[(2-bromophenyl)methyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2-bromobenzyl)-3-(3-ketopiperazino)sulfonyl-N-methyl-benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H20BrN3O4S/c1-22(12-15-5-2-3-8-17(15)20)19(25)14-6-4-7-16(11-14)28(26,27)23-10-9-21-18(24)13-23/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)