N-(2-azanylethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide

Systemtic Name: N-(2-azanylethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide Openeye Name: N-(2-aminoethyl)-N-methyl-4-(1-methyl-1-nitro-ethyl)-3-nitro-benzenesulfonamide CAS Name: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide IUPAC Name: N-(2-aminoethyl)-N-methyl-3-nitro-4-(2-nitropropan-2-yl)benzenesulfonamide Traditional Name: N-(2-aminoethyl)-N-methyl-4-(1-methyl-1-nitro-ethyl)-3-nitro-benzenesulfonamide Formula: C12H18N4O6S MolecularWeight: 346.35952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O6S/c1-12(2,16(19)20)10-5-4-9(8-11(10)15(17)18)23(21,22)14(3)7-6-13/h4-5,8H,6-7,13H2,1-3H3