(4-butoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(3-fluorophenyl)sulfonylpiperazino]methanone Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-2-3-15-28-19-9-7-17(8-10-19)21(25)23-11-13-24(14-12-23)29(26,27)20-6-4-5-18(22)16-20/h4-10,16H,2-3,11-15H2,1H3