N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-4-methyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazin-4-ium-1-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-4-methyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)(C)C)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(C)(C)C)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C19H30N4O4S/c1-15-6-8-16(9-7-15)28(26,27)23(14-17(24)20-19(2,3)4)18(25)22-12-10-21(5)11-13-22/h6-9H,10-14H2,1-5H3,(H,20,24)/p+1