2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3CCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC[C@H]3CCCO3)C

InChI

InChI=1S/C19H29N3O4S/c1-15-5-6-18(12-16(15)2)27(24,25)22-9-7-21(8-10-22)14-19(23)20-13-17-4-3-11-26-17/h5-6,12,17H,3-4,7-11,13-14H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1