(3S)-3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S)-3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)C3CCOC3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)[C@H]3CCOC3=O)C)C(C)(C)C

InChI

InChI=1S/C20H30N2O4S/c1-14-12-16(20(3,4)5)13-15(2)18(14)27(24,25)22-9-7-21(8-10-22)17-6-11-26-19(17)23/h12-13,17H,6-11H2,1-5H3/p+1/t17-/m0/s1