N-(tert-butylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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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=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H28N4O4S/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/h4-9,14H,10-13,15H2,1-3H3,(H2,22,23,26,27)/p+1