[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H34N2O6S/c1-6-31-21-16-20(17-22(32-7-2)24(21)33-8-3)25(28)26-11-13-27(14-12-26)34(29,30)23-15-18(4)9-10-19(23)5/h9-10,15-17H,6-8,11-14H2,1-5H3