N-(tert-butylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H32N4O4S/c1-21(2,3)23-20(27)22-19(26)15-24-10-12-25(13-11-24)30(28,29)18-9-8-16-6-4-5-7-17(16)14-18/h8-9,14H,4-7,10-13,15H2,1-3H3,(H2,22,23,26,27)/p+1