4-(azetidin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(azetidin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(azetidin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1-azetidinyl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(azetidin-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(azetidin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-3-15(4-2)21(19,20)11-6-7-12(14-8-5-9-14)13(10-11)16(17)18/h6-7,10H,3-5,8-9H2,1-2H3