3-nitro-4-(2-nitropropan-2-yl)-2-(2-piperidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-nitropropan-2-yl)-2-(2-piperidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-(1-methyl-1-nitro-ethyl)-3-nitro-2-[2-(1-piperidyl)ethyl]benzenesulfonamide CAS Name: 3-nitro-4-(2-nitropropan-2-yl)-2-[2-(1-piperidinyl)ethyl]benzenesulfonamide IUPAC Name: 3-nitro-4-(2-nitropropan-2-yl)-2-(2-piperidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-(1-methyl-1-nitro-ethyl)-3-nitro-2-(2-piperidinoethyl)benzenesulfonamide Formula: C16H24N4O6S MolecularWeight: 400.44996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C(=C(C=C1)S(=O)(=O)N)CCN2CCCCC2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C(=C(C=C1)S(=O)(=O)N)CCN2CCCCC2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O6S/c1-16(2,20(23)24)13-6-7-14(27(17,25)26)12(15(13)19(21)22)8-11-18-9-4-3-5-10-18/h6-7H,3-5,8-11H2,1-2H3,(H2,17,25,26)