4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H25N4O5S+ MolecularWeight: 409.4799

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5S/c1-19-28(25,26)14-7-8-15(16(12-14)22(23)24)20-13-17(18-6-5-11-27-18)21-9-3-2-4-10-21/h5-8,11-12,17,19-20H,2-4,9-10,13H2,1H3/p+1/t17-/m1/s1