N-(2-methoxyphenyl)-4-methyl-N-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-4-methyl-N-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-N-(2-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propyl]-N-(2-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CC[NH+](CC2)C)O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](CN2CC[NH+](CC2)C)O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H31N3O4S/c1-18-8-10-20(11-9-18)30(27,28)25(21-6-4-5-7-22(21)29-3)17-19(26)16-24-14-12-23(2)13-15-24/h4-11,19,26H,12-17H2,1-3H3/p+1/t19-/m0/s1