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

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-4-methoxy-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC(=C(C=C2)OC)C)C3=CN=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC(=C(C=C2)OC)C)C3=CN=CC=C3

InChI

InChI=1S/C21H30N4O3S/c1-4-24-10-12-25(13-11-24)20(18-6-5-9-22-15-18)16-23-29(26,27)19-7-8-21(28-3)17(2)14-19/h5-9,14-15,20,23H,4,10-13,16H2,1-3H3/p+1/t20-/m1/s1