N-(2-methylpropyl)-4-[4-(2-methylpropylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline

Systemtic Name: N-(2-methylpropyl)-4-[4-(2-methylpropylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline Openeye Name: N-isobutyl-4-[4-(isobutylamino)-3-nitro-phenyl]sulfonyl-2-nitro-aniline CAS Name: N-(2-methylpropyl)-4-[4-(2-methylpropylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline IUPAC Name: N-(2-methylpropyl)-4-[4-(2-methylpropylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline Traditional Name: isobutyl-[4-[4-(isobutylamino)-3-nitro-phenyl]sulfonyl-2-nitro-phenyl]amine Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6S/c1-13(2)11-21-17-7-5-15(9-19(17)23(25)26)31(29,30)16-6-8-18(22-12-14(3)4)20(10-16)24(27)28/h5-10,13-14,21-22H,11-12H2,1-4H3