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

Systemtic Name: 4-methylsulfonyl-2-nitro-N-pentan-2-yl-aniline Openeye Name: N-(1-methylbutyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: 4-methylsulfonyl-2-nitro-N-pentan-2-ylaniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-pentan-2-ylaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(1-methylbutyl)amine Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-4-5-9(2)13-11-7-6-10(19(3,17)18)8-12(11)14(15)16/h6-9,13H,4-5H2,1-3H3