[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-(4-tosylpiperazino)methanone Formula: C21H26N2O6S MolecularWeight: 434.50594

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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=C3OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-15-5-7-16(8-6-15)30(25,26)23-11-9-22(10-12-23)21(24)17-13-19(28-3)20(29-4)14-18(17)27-2/h5-8,13-14H,9-12H2,1-4H3