(3-ethoxy-4-propoxy-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-ethoxy-4-propoxy-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-ethoxy-4-propoxy-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-ethoxy-4-propoxyphenyl)-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-ethoxy-4-propoxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-ethoxy-4-propoxy-phenyl)-[4-(2-fluorophenyl)sulfonylpiperazino]methanone Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)OCC

InChI

InChI=1S/C22H27FN2O5S/c1-3-15-30-19-10-9-17(16-20(19)29-4-2)22(26)24-11-13-25(14-12-24)31(27,28)21-8-6-5-7-18(21)23/h5-10,16H,3-4,11-15H2,1-2H3