N-(tert-butylcarbamoyl)-3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-3-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(tert-butylcarbamoyl)propanamide CAS Name: 3-[4-(3-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: 3-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(tert-butylcarbamoyl)propanamide Traditional Name: 3-[4-(3-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(tert-butylcarbamoyl)propionamide Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C20H30N4O5S/c1-15(25)16-6-5-7-17(14-16)30(28,29)24-12-10-23(11-13-24)9-8-18(26)21-19(27)22-20(2,3)4/h5-7,14H,8-13H2,1-4H3,(H2,21,22,26,27)/p+1