2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitro-phenyl]-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: 2-[4-[(2,4-dichlorophenyl)thio]-3-nitrophenyl]-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: 2-[4-(2,4-dichlorophenyl)sulfanyl-3-nitrophenyl]-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 2-[4-[(2,4-dichlorophenyl)thio]-3-nitro-phenyl]-1-(4-mesylpiperazino)prop-2-en-1-one Formula: C20H19Cl2N3O5S2 MolecularWeight: 516.41796

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19Cl2N3O5S2/c1-13(20(26)23-7-9-24(10-8-23)32(2,29)30)14-3-5-19(17(11-14)25(27)28)31-18-6-4-15(21)12-16(18)22/h3-6,11-12H,1,7-10H2,2H3