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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-29-20-9-11-21(12-10-20)31(27,28)24-18-22(23-8-5-17-30-23)26-15-13-25(14-16-26)19-6-3-2-4-7-19/h2-12,17,22,24H,13-16,18H2,1H3/p+1/t22-/m0/s1