1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: 1-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: 1-(4-brosylpiperazino)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C19H18BrN3O5S MolecularWeight: 480.33232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O5S/c20-16-5-7-18(8-6-16)29(27,28)22-12-10-21(11-13-22)19(24)9-4-15-2-1-3-17(14-15)23(25)26/h1-9,14H,10-13H2