N,N-diethyl-4-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzenesulfonamide Formula: C21H31N4O5S+ MolecularWeight: 451.55964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5S/c1-3-24(4-2)31(28,29)17-10-11-18(19(15-17)25(26)27)22-16-20(21-9-8-14-30-21)23-12-6-5-7-13-23/h8-11,14-15,20,22H,3-7,12-13,16H2,1-2H3/p+1/t20-/m0/s1