3-bromanyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3-bromo-benzamide CAS Name: 3-bromo-N-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide Traditional Name: N-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-3-bromo-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C2=CC(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C2=CC(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O4S/c21-18-8-4-7-17(13-18)20(26)22-14-19(25)23-9-11-24(12-10-23)29(27,28)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,22,26)