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

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CC[NH2+]CC2)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](CN2CC[NH2+]CC2)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N3O4S/c1-17-3-9-21(10-4-17)29(26,27)24(18-5-7-20(28-2)8-6-18)16-19(25)15-23-13-11-22-12-14-23/h3-10,19,22,25H,11-16H2,1-2H3/p+1/t19-/m1/s1