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

Systemtic Name: 4-[[2-(diethylamino)-4-methyl-pentyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(diethylamino)-4-methyl-pentyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(diethylamino)-4-methylpentyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(diethylamino)-4-methylpentyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(diethylamino)-4-methyl-pentyl]amino]-3-nitro-benzenesulfonamide Formula: C16H28N4O4S MolecularWeight: 372.48292

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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)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O4S/c1-5-19(6-2)13(9-12(3)4)11-18-15-8-7-14(25(17,23)24)10-16(15)20(21)22/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3,(H2,17,23,24)