N-(5-cyano-2,2-dimethyl-pentyl)-N-(2-methylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-cyano-2,2-dimethyl-pentyl)-N-(2-methylpropyl)-3-nitro-benzenesulfonamide Openeye Name: N-(5-cyano-2,2-dimethyl-pentyl)-N-isobutyl-3-nitro-benzenesulfonamide CAS Name: N-(5-cyano-2,2-dimethylpentyl)-N-(2-methylpropyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(5-cyano-2,2-dimethylpentyl)-N-(2-methylpropyl)-3-nitrobenzenesulfonamide Traditional Name: N-(5-cyano-2,2-dimethyl-pentyl)-N-isobutyl-3-nitro-benzenesulfonamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)(C)CCCC#N)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)(C)CCCC#N)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c1-15(2)13-20(14-18(3,4)10-5-6-11-19)26(24,25)17-9-7-8-16(12-17)21(22)23/h7-9,12,15H,5-6,10,13-14H2,1-4H3