4-[[2-(diethylamino)-4-methyl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(diethylamino)-4-methyl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(diethylamino)-4-methyl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(diethylamino)-4-methylpentyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(diethylamino)-4-methylpentyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(diethylamino)-4-methyl-pentyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H30N4O4S MolecularWeight: 386.5095

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC(C)C)CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(CC(C)C)CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H30N4O4S/c1-6-20(7-2)14(10-13(3)4)12-19-16-9-8-15(26(24,25)18-5)11-17(16)21(22)23/h8-9,11,13-14,18-19H,6-7,10,12H2,1-5H3