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

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(3-ethoxy-4-methoxyphenyl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(3-ethoxy-4-methoxy-phenyl)methanone Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)OC

InChI

InChI=1S/C22H28N2O5S/c1-5-29-20-15-18(7-8-19(20)28-4)22(25)23-10-12-24(13-11-23)30(26,27)21-9-6-16(2)14-17(21)3/h6-9,14-15H,5,10-13H2,1-4H3