3-cyano-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 3-cyano-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 3-cyano-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzenesulfonamide Traditional Name: 3-cyano-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNS(=O)(=O)C2=CC=CC(=C2)C#N)C3=CC=CO3

InChI

InChI=1S/C18H21N3O3S/c19-13-15-6-4-7-16(12-15)25(22,23)20-14-17(18-8-5-11-24-18)21-9-2-1-3-10-21/h4-8,11-12,17,20H,1-3,9-10,14H2/p+1/t17-/m0/s1