N,N-bis(3-methylbutyl)-4-nitro-benzenesulfonamide

Systemtic Name: N,N-bis(3-methylbutyl)-4-nitro-benzenesulfonamide Openeye Name: N,N-diisopentyl-4-nitro-benzenesulfonamide CAS Name: N,N-bis(3-methylbutyl)-4-nitrobenzenesulfonamide IUPAC Name: N,N-bis(3-methylbutyl)-4-nitrobenzenesulfonamide Traditional Name: N,N-diisoamyl-4-nitro-benzenesulfonamide Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(CCC(C)C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O4S/c1-13(2)9-11-17(12-10-14(3)4)23(21,22)16-7-5-15(6-8-16)18(19)20/h5-8,13-14H,9-12H2,1-4H3