4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Openeye Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide CAS Name: 4-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-[[(2R)-2-oxolanyl]methyl]benzenesulfonamide IUPAC Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide Traditional Name: 4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbonyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC[C@H]4CCCO4

InChI

InChI=1S/C25H33N3O5S/c1-19-5-10-24(32-2)21(16-19)18-27-11-13-28(14-12-27)25(29)20-6-8-23(9-7-20)34(30,31)26-17-22-4-3-15-33-22/h5-10,16,22,26H,3-4,11-15,17-18H2,1-2H3/p+1/t22-/m1/s1