4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzonitrile CAS Name: 4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzonitrile IUPAC Name: 4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzonitrile Traditional Name: 4-[(7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)sulfonyl]benzonitrile Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H29N3O2S/c1-4-5-10-22-12-17-14-23(15-18(13-22)20(17,2)3)26(24,25)19-8-6-16(11-21)7-9-19/h6-9,17-18H,4-5,10,12-15H2,1-3H3