2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-23(2,3)20-9-11-21(12-10-20)30(28,29)26-15-13-25(14-16-26)18-22(27)24-17-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3,(H,24,27)/p+1