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

Systemtic Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-16-2-9-19(10-3-16)29(27,28)22-14-12-21(13-15-22)20(24)11-6-17-4-7-18(8-5-17)23(25)26/h2-11H,12-15H2,1H3/b11-6+