4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C24H31N3O4S/c1-19-5-2-3-6-21(19)18-26-12-14-27(15-13-26)24(28)20-8-10-23(11-9-20)32(29,30)25-17-22-7-4-16-31-22/h2-3,5-6,8-11,22,25H,4,7,12-18H2,1H3/p+1/t22-/m1/s1