N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C21H29FN3O3S+ MolecularWeight: 422.536663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)F)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CC=C(C=C2)F)N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C21H28FN3O3S/c1-16-14-19(8-9-21(16)28-3)29(26,27)23-15-20(17-4-6-18(22)7-5-17)25-12-10-24(2)11-13-25/h4-9,14,20,23H,10-13,15H2,1-3H3/p+1/t20-/m1/s1