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

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(4-propoxyphenyl)methanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-4-15-28-20-9-7-19(8-10-20)22(25)23-11-13-24(14-12-23)29(26,27)21-16-17(2)5-6-18(21)3/h5-10,16H,4,11-15H2,1-3H3