N-[1-(4-bromophenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[1-(4-bromophenyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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