4-bromanyl-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[(2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2S)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[(2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C22H25BrN3O3S+ MolecularWeight: 491.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H24BrN3O3S/c23-18-8-10-20(11-9-18)30(27,28)24-17-21(22-7-4-16-29-22)26-14-12-25(13-15-26)19-5-2-1-3-6-19/h1-11,16,21,24H,12-15,17H2/p+1/t21-/m0/s1