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

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-N-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide Formula: C28H36N3O4S+ MolecularWeight: 510.66814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H35N3O4S/c1-23-8-14-28(15-9-23)36(33,34)31(25-10-12-27(35-2)13-11-25)22-26(32)21-30-18-16-29(17-19-30)20-24-6-4-3-5-7-24/h3-15,26,32H,16-22H2,1-2H3/p+1/t26-/m1/s1