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

Systemtic Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-4-methoxy-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C25H30FN4O3S+ MolecularWeight: 485.594103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H29FN4O3S/c1-19-16-23(9-10-25(19)33-2)34(31,32)28-18-24(20-4-3-11-27-17-20)30-14-12-29(13-15-30)22-7-5-21(26)6-8-22/h3-11,16-17,24,28H,12-15,18H2,1-2H3/p+1/t24-/m1/s1