N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[(2R)-2-(2-furyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide CAS Name: N-[(2R)-2-(2-furanyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: N-[(2R)-2-(2-furyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H27N3O4S/c1-29-20-11-9-19(10-12-20)25-13-15-26(16-14-25)22(23-8-5-17-30-23)18-24-31(27,28)21-6-3-2-4-7-21/h2-12,17,22,24H,13-16,18H2,1H3/p+1/t22-/m1/s1