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

Systemtic Name: 4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[2-(cyclopropylmethoxy)-5-mesyl-benzoyl]piperazino]benzonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OCC2CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O4S/c1-31(28,29)20-8-9-22(30-16-18-2-3-18)21(14-20)23(27)26-12-10-25(11-13-26)19-6-4-17(15-24)5-7-19/h4-9,14,18H,2-3,10-13,16H2,1H3