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

Systemtic Name: 4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzenecarbonitrile Openeye Name: 4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile CAS Name: 4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile IUPAC Name: 4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile Traditional Name: 4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2CCC(C1)N2CCCS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCS(=O)(=O)N1CC2CCC(C1)N2CCCS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H29N3O4S2/c1-2-3-13-29(26,27)22-15-18-7-8-19(16-22)23(18)11-4-12-28(24,25)20-9-5-17(14-21)6-10-20/h5-6,9-10,18-19H,2-4,7-8,11-13,15-16H2,1H3