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

Systemtic Name: (E)-3-(3-methylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(m-tolyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methylphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(m-tolyl)-1-[4-(2-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/c1-16-5-4-6-17(15-16)9-10-20(24)21-11-13-22(14-12-21)29(27,28)19-8-3-2-7-18(19)23(25)26/h2-10,15H,11-14H2,1H3/b10-9+