N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2,4,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C27H35N4O3S+ MolecularWeight: 495.6568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C27H34N4O3S/c1-20-16-21(2)27(22(3)17-20)35(32,33)29-19-25(23-8-7-11-28-18-23)31-14-12-30(13-15-31)24-9-5-6-10-26(24)34-4/h5-11,16-18,25,29H,12-15,19H2,1-4H3/p+1/t25-/m1/s1