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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-16-4-2-5-17(14-16)8-9-20(24)21-10-12-22(13-11-21)29(27,28)19-7-3-6-18(15-19)23(25)26/h2-9,14-15H,10-13H2,1H3/b9-8+