N-butan-2-yl-3-methyl-4-methylsulfonyl-2,6-dinitro-aniline

Systemtic Name: N-butan-2-yl-3-methyl-4-methylsulfonyl-2,6-dinitro-aniline Openeye Name: 3-methyl-4-methylsulfonyl-2,6-dinitro-N-sec-butyl-aniline CAS Name: N-butan-2-yl-3-methyl-4-methylsulfonyl-2,6-dinitroaniline IUPAC Name: N-butan-2-yl-3-methyl-4-methylsulfonyl-2,6-dinitroaniline Traditional Name: (4-mesyl-3-methyl-2,6-dinitro-phenyl)-sec-butyl-amine Formula: C24H34N6O12S2 MolecularWeight: 662.68976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H17N3O6S/c2*1-5-7(2)13-11-9(14(16)17)6-10(22(4,20)21)8(3)12(11)15(18)19/h2*6-7,13H,5H2,1-4H3