N-(tert-butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C20H32N4O4S/c1-5-6-16-7-9-17(10-8-16)29(27,28)24-13-11-23(12-14-24)15-18(25)21-19(26)22-20(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H2,21,22,25,26)/p+1