N-(4-methylpentan-2-yl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(4-methylpentan-2-yl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(1,3-dimethylbutyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(4-methylpentan-2-yl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(4-methylpentan-2-yl)-4-methylsulfonyl-2-nitroaniline Traditional Name: 1,3-dimethylbutyl-(4-mesyl-2-nitro-phenyl)amine Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)NC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O4S/c1-9(2)7-10(3)14-12-6-5-11(20(4,18)19)8-13(12)15(16)17/h5-6,8-10,14H,7H2,1-4H3