2-(3,5-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-15-10-16(2)12-17(11-15)31-14-21(25)22-6-8-23(9-7-22)32(28,29)18-4-5-20(30-3)19(13-18)24(26)27/h4-5,10-13H,6-9,14H2,1-3H3