N,N-dibutyl-3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N,N-dibutyl-3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N,N-dibutyl-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N,N-dibutyl-3-nitro-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N,N-dibutyl-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N,N-dibutyl-4-(2-ketopyrrolidino)-3-nitro-benzenesulfonamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c1-3-5-11-19(12-6-4-2)27(25,26)15-9-10-16(17(14-15)21(23)24)20-13-7-8-18(20)22/h9-10,14H,3-8,11-13H2,1-2H3