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

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

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-20-17-23(10-11-25(20)32-2)33(30,31)27-19-24(21-7-6-12-26-18-21)29-15-13-28(14-16-29)22-8-4-3-5-9-22/h3-12,17-18,24,27H,13-16,19H2,1-2H3/p+1/t24-/m1/s1