[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-14-4-5-15(12-17(14)23(25)26)20(24)21-8-10-22(11-9-21)31(27,28)16-6-7-18(29-2)19(13-16)30-3/h4-7,12-13H,8-11H2,1-3H3