6-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(methylsulfonylamino)pyridine-3-carboxylic acid

Systemtic Name: 6-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(methylsulfonylamino)pyridine-3-carboxylic acid Openeye Name: 6-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(methanesulfonamido)pyridine-3-carboxylic acid CAS Name: 6-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-5-(methanesulfonamido)-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-(methanesulfonamido)pyridine-3-carboxylic acid Traditional Name: 6-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-5-(methanesulfonamido)nicotinic acid Formula: C17H27N5O5S MolecularWeight: 413.49178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C17H27N5O5S/c1-17(2,3)19-14(23)11-21-5-7-22(8-6-21)15-13(20-28(4,26)27)9-12(10-18-15)16(24)25/h9-10,20H,5-8,11H2,1-4H3,(H,19,23)(H,24,25)