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

Systemtic Name: 4-methoxy-3-methyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: 4-methoxy-3-methyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide CAS Name: 4-methoxy-3-methyl-N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-methyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide Traditional Name: 4-methoxy-3-methyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]benzenesulfonamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CC[NH+](CC3)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CN=CC=C2)N3CC[NH+](CC3)C)OC

InChI

InChI=1S/C20H28N4O3S/c1-16-13-18(6-7-20(16)27-3)28(25,26)22-15-19(17-5-4-8-21-14-17)24-11-9-23(2)10-12-24/h4-8,13-14,19,22H,9-12,15H2,1-3H3/p+1/t19-/m1/s1