N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[1-(furan-3-carbonyl)-4-piperidyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[1-(furan-3-carbonyl)piperidin-4-yl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[1-(3-furoyl)-4-piperidyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCN(CC2)C(=O)C3=COC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2CCN(CC2)C(=O)C3=COC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-12-9-16(21(23)24)10-17(13(12)2)28(25,26)19-15-3-6-20(7-4-15)18(22)14-5-8-27-11-14/h5,8-11,15,19H,3-4,6-7H2,1-2H3