2-(4-chlorophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c1-14-2-7-17(23(25)26)13-18(14)29(27,28)22-10-8-21(9-11-22)19(24)12-15-3-5-16(20)6-4-15/h2-7,13H,8-12H2,1H3