N-(4-bromophenyl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-bromophenyl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-bromophenyl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4-bromophenyl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4-bromophenyl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-bromophenyl)-4-(4-formylpiperazino)sulfonyl-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C=O)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O4S/c19-15-3-5-16(6-4-15)20-18(24)14-1-7-17(8-2-14)27(25,26)22-11-9-21(13-23)10-12-22/h1-8,13H,9-12H2,(H,20,24)