4-bromanyl-N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-(4-besylpiperazino)-3-keto-propyl]-4-bromo-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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