4-[3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzenecarbonitrile Openeye Name: 4-[3-(3-isopropylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile CAS Name: 4-[3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile IUPAC Name: 4-[3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile Traditional Name: 4-[3-(3-isopropylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propylsulfonyl]benzonitrile Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S2/c1-15(2)28(25,26)21-13-17-6-7-18(14-21)22(17)10-3-11-27(23,24)19-8-4-16(12-20)5-9-19/h4-5,8-9,15,17-18H,3,6-7,10-11,13-14H2,1-2H3