4-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-N-methyl-benzamide

Systemtic Name: 4-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-N-methyl-benzamide Openeye Name: 4-[[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-N-methyl-benzamide CAS Name: 4-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-N-methylbenzamide Traditional Name: 4-[[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-4-ium-1-yl]sulfonyl]-N-methyl-benzamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC

InChI

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