4-[3-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propylsulfonyl]benzenecarbonitrile Openeye Name: 4-[3-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propylsulfonyl]benzonitrile CAS Name: 4-[3-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propylsulfonyl]benzonitrile IUPAC Name: 4-[3-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propylsulfonyl]benzonitrile Traditional Name: 4-[3-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propylsulfonyl]benzonitrile Formula: C24H29N3O6S2 MolecularWeight: 519.63356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3CCC(C2)N3CCCS(=O)(=O)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3CCC(C2)N3CCCS(=O)(=O)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C24H29N3O6S2/c1-32-23-11-10-22(14-24(23)33-2)35(30,31)26-16-19-6-7-20(17-26)27(19)12-3-13-34(28,29)21-8-4-18(15-25)5-9-21/h4-5,8-11,14,19-20H,3,6-7,12-13,16-17H2,1-2H3