(4-butoxy-3-chloranyl-5-methoxy-phenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxy-3-chloranyl-5-methoxy-phenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxy-3-chloro-5-methoxy-phenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-butoxy-3-chloro-5-methoxyphenyl)-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-chloro-5-methoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxy-3-chloro-5-methoxy-phenyl)-[4-(4-fluorophenyl)sulfonylpiperazino]methanone Formula: C22H26ClFN2O5S MolecularWeight: 484.968643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H26ClFN2O5S/c1-3-4-13-31-21-19(23)14-16(15-20(21)30-2)22(27)25-9-11-26(12-10-25)32(28,29)18-7-5-17(24)6-8-18/h5-8,14-15H,3-4,9-13H2,1-2H3