(3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-(4-tosylpiperazino)methanone Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-4-13-30-21-19(23)14-17(15-20(21)29-3)22(26)24-9-11-25(12-10-24)31(27,28)18-7-5-16(2)6-8-18/h5-8,14-15H,4,9-13H2,1-3H3