(E)-3-(3-bromophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O5S/c1-15-5-7-18(24(26)27)14-19(15)30(28,29)23-11-9-22(10-12-23)20(25)8-6-16-3-2-4-17(21)13-16/h2-8,13-14H,9-12H2,1H3/b8-6+