N-tert-butyl-4-[[2-(dimethylamino)-4-methyl-pentyl]amino]-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O4S/c1-13(2)10-14(21(6)7)12-19-16-9-8-15(11-17(16)22(23)24)27(25,26)20-18(3,4)5/h8-9,11,13-14,19-20H,10,12H2,1-7H3