(2E,4E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]hexa-2,4-dien-1-one

Systemtic Name: (2E,4E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]hexa-2,4-dien-1-one Openeye Name: (2E,4E)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]hexa-2,4-dien-1-one CAS Name: (2E,4E)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-hexa-2,4-dienone IUPAC Name: (2E,4E)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]hexa-2,4-dien-1-one Traditional Name: (2E,4E)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]hexa-2,4-dien-1-one Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-3-4-5-6-17(21)19-11-9-18(10-12-19)15-8-7-14(26(2,24)25)13-16(15)20(22)23/h3-8,13H,9-12H2,1-2H3/b4-3+,6-5+