(4,5-dimethoxy-2-nitro-phenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-14-5-6-20(15(2)11-14)32(28,29)23-9-7-22(8-10-23)21(25)16-12-18(30-3)19(31-4)13-17(16)24(26)27/h5-6,11-13H,7-10H2,1-4H3