7-butyl-3-(4-chloranyl-3-nitro-phenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Systemtic Name: 7-butyl-3-(4-chloranyl-3-nitro-phenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Openeye Name: 7-butyl-3-(4-chloro-3-nitro-phenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane CAS Name: 7-butyl-3-(4-chloro-3-nitrophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane IUPAC Name: 7-butyl-3-(4-chloro-3-nitrophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Traditional Name: 7-butyl-3-(4-chloro-3-nitro-phenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Formula: C19H28ClN3O4S MolecularWeight: 429.96132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H28ClN3O4S/c1-4-5-8-21-10-14-12-22(13-15(11-21)19(14,2)3)28(26,27)16-6-7-17(20)18(9-16)23(24)25/h6-7,9,14-15H,4-5,8,10-13H2,1-3H3