N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzenesulfonamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide Formula: C20H29N3O3S+2 MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-22-12-14-23(15-13-22)20(17-8-10-18(26-2)11-9-17)16-21-27(24,25)19-6-4-3-5-7-19/h3-11,20-21H,12-16H2,1-2H3/p+2/t20-/m1/s1