2-(2,6-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,6-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,6-dimethylphenoxy)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,6-dimethylphenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,6-dimethylphenoxy)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,6-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=C(C(=CC=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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