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

Systemtic Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-4-methyl-benzenesulfonamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-20-5-11-24(12-6-20)33(30,31)27-19-25(21-4-3-13-26-18-21)29-16-14-28(15-17-29)22-7-9-23(32-2)10-8-22/h3-13,18,25,27H,14-17,19H2,1-2H3/p+1/t25-/m1/s1