4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(dimethylamino)-4-methylpentyl]amino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(dimethylamino)-4-methylpentyl]amino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H32N4O4S MolecularWeight: 400.53608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O4S/c1-7-21(8-2)27(25,26)16-9-10-17(18(12-16)22(23)24)19-13-15(20(5)6)11-14(3)4/h9-10,12,14-15,19H,7-8,11,13H2,1-6H3