2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-18-6-9-21(16-19(18)2)25-23(28)17-26-12-14-27(15-13-26)31(29,30)22-10-7-20(8-11-22)24(3,4)5/h6-11,16H,12-15,17H2,1-5H3,(H,25,28)/p+1