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

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-14-4-5-15(2)19(12-14)30(27,28)22-10-8-21(9-11-22)20(24)16-6-7-18(29-3)17(13-16)23(25)26/h4-7,12-13H,8-11H2,1-3H3