3-(2,5-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-30-18-7-8-20(31-2)16(14-18)6-9-21(25)22-10-12-23(13-11-22)32(28,29)19-5-3-4-17(15-19)24(26)27/h3-5,7-8,14-15H,6,9-13H2,1-2H3