4-[4-(2-butan-2-yloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(2-butan-2-yloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(5-methylsulfonyl-2-sec-butoxy-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(2-butan-2-yloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(2-butan-2-yloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[4-(5-mesyl-2-sec-butoxy-benzoyl)piperazino]benzonitrile Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C23H26FN3O4S/c1-4-16(2)31-22-8-6-18(32(3,29)30)14-19(22)23(28)27-11-9-26(10-12-27)21-7-5-17(15-25)13-20(21)24/h5-8,13-14,16H,4,9-12H2,1-3H3