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

Systemtic Name: 5-chloranyl-2-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 5-chloro-2-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzonitrile CAS Name: 5-chloro-2-[4-[[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-chloro-2-[4-[2-(cyclopropylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzonitrile Traditional Name: 5-chloro-2-[4-[2-(cyclopropylmethoxy)-5-mesyl-benzoyl]piperazino]benzonitrile Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4S/c1-32(29,30)19-5-7-22(31-15-16-2-3-16)20(13-19)23(28)27-10-8-26(9-11-27)21-6-4-18(24)12-17(21)14-25/h4-7,12-13,16H,2-3,8-11,15H2,1H3