3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: 3-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C23H38N3O4S+ MolecularWeight: 452.63052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H37N3O4S/c1-18(27)17-23(5,6)24-21(28)11-12-25-13-15-26(16-14-25)31(29,30)20-9-7-19(8-10-20)22(2,3)4/h7-10H,11-17H2,1-6H3,(H,24,28)/p+1