2-(3,4-dimethylphenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dimethylphenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dimethylphenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15-4-5-17(12-16(15)2)13-21(25)22-8-10-23(11-9-22)31(28,29)18-6-7-20(30-3)19(14-18)24(26)27/h4-7,12,14H,8-11,13H2,1-3H3