N-butan-2-yl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-butan-2-yl-4-methylsulfonyl-2-nitro-aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-sec-butyl-aniline CAS Name: N-butan-2-yl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-butan-2-yl-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-sec-butyl-amine Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4S/c1-4-8(2)12-10-6-5-9(18(3,16)17)7-11(10)13(14)15/h5-8,12H,4H2,1-3H3