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

Systemtic Name: 4-bromanyl-N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[(2R)-2-(2-furyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2R)-2-(2-furanyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[(2R)-2-(2-furyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Formula: C23H27BrN3O4S+ MolecularWeight: 521.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O4S/c1-30-20-8-6-19(7-9-20)26-12-14-27(15-13-26)22(23-3-2-16-31-23)17-25-32(28,29)21-10-4-18(24)5-11-21/h2-11,16,22,25H,12-15,17H2,1H3/p+1/t22-/m1/s1