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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5S/c1-15-2-6-17(7-3-15)30(28,29)23-12-10-22(11-13-23)20(25)9-5-16-4-8-18(21)19(14-16)24(26)27/h2-9,14H,10-13H2,1H3/b9-5+