N-(2-methoxyphenyl)-N-[(2R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-N-[(2R)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: N-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C21H31N3O4S+2 MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H](CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H29N3O4S/c1-22-12-14-23(15-13-22)16-18(25)17-24(20-10-6-7-11-21(20)28-2)29(26,27)19-8-4-3-5-9-19/h3-11,18,25H,12-17H2,1-2H3/p+2/t18-/m1/s1