4-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(2-isopropoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(2-isopropoxy-5-mesyl-benzoyl)piperazino]benzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-16(2)29-21-9-8-19(30(3,27)28)14-20(21)22(26)25-12-10-24(11-13-25)18-6-4-17(15-23)5-7-18/h4-9,14,16H,10-13H2,1-3H3