N,N-diethyl-4-[[2-(furan-2-ylmethyl)-3-oxidanyl-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[2-(furan-2-ylmethyl)-3-oxidanyl-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[2-(2-furylmethyl)-3-hydroxy-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-(2-furanylmethyl)-3-hydroxypropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[2-(2-furfuryl)-3-hydroxy-propyl]amino]-3-nitro-benzenesulfonamide Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC(CC2=CC=CO2)CO)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC(CC2=CC=CO2)CO)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-3-20(4-2)28(25,26)16-7-8-17(18(11-16)21(23)24)19-12-14(13-22)10-15-6-5-9-27-15/h5-9,11,14,19,22H,3-4,10,12-13H2,1-2H3