N,N-diethyl-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-pyrrolidino-benzenesulfonamide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-3-16(4-2)22(20,21)12-7-8-13(14(11-12)17(18)19)15-9-5-6-10-15/h7-8,11H,3-6,9-10H2,1-2H3