3-nitro-4-(2-nitropropan-2-yl)-N,N-bis[2-(oxan-2-yl)ethyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-nitropropan-2-yl)-N,N-bis[2-(oxan-2-yl)ethyl]benzenesulfonamide Openeye Name: 4-(1-methyl-1-nitro-ethyl)-3-nitro-N,N-bis(2-tetrahydropyran-2-ylethyl)benzenesulfonamide CAS Name: 3-nitro-4-(2-nitropropan-2-yl)-N,N-bis[2-(2-oxanyl)ethyl]benzenesulfonamide IUPAC Name: 3-nitro-4-(2-nitropropan-2-yl)-N,N-bis[2-(oxan-2-yl)ethyl]benzenesulfonamide Traditional Name: 4-(1-methyl-1-nitro-ethyl)-3-nitro-N,N-bis(2-tetrahydropyran-2-ylethyl)benzenesulfonamide Formula: C23H35N3O8S MolecularWeight: 513.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(CCC2CCCCO2)CCC3CCCCO3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C=C(C=C1)S(=O)(=O)N(CCC2CCCCO2)CCC3CCCCO3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H35N3O8S/c1-23(2,26(29)30)21-10-9-20(17-22(21)25(27)28)35(31,32)24(13-11-18-7-3-5-15-33-18)14-12-19-8-4-6-16-34-19/h9-10,17-19H,3-8,11-16H2,1-2H3