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

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(2,3,4-trimethoxyphenyl)methanone Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-15-6-7-16(2)19(14-15)31(26,27)24-12-10-23(11-13-24)22(25)17-8-9-18(28-3)21(30-5)20(17)29-4/h6-9,14H,10-13H2,1-5H3