N-[7-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-heptan-2-yl]-2-(methylsulfonylamino)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[7-cyano-3,4-bis(oxidanyl)-1-pyridin-4-yl-heptan-2-yl]-2-(methylsulfonylamino)-1,3-thiazole-4-carboxamide Openeye Name: N-[6-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)hexyl]-2-(methanesulfonamido)thiazole-4-carboxamide CAS Name: N-(7-cyano-3,4-dihydroxy-1-pyridin-4-ylheptan-2-yl)-2-(methanesulfonamido)-4-thiazolecarboxamide IUPAC Name: N-(7-cyano-3,4-dihydroxy-1-pyridin-4-ylheptan-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide Traditional Name: N-[6-cyano-2,3-dihydroxy-1-(4-pyridylmethyl)hexyl]-2-(methanesulfonamido)thiazole-4-carboxamide Formula: C18H23N5O5S2 MolecularWeight: 453.53572

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC(=CS1)C(=O)NC(CC2=CC=NC=C2)C(C(CCCC#N)O)O

Isomeric SMILES

CS(=O)(=O)NC1=NC(=CS1)C(=O)NC(CC2=CC=NC=C2)C(C(CCCC#N)O)O

InChI

InChI=1S/C18H23N5O5S2/c1-30(27,28)23-18-22-14(11-29-18)17(26)21-13(10-12-5-8-20-9-6-12)16(25)15(24)4-2-3-7-19/h5-6,8-9,11,13,15-16,24-25H,2-4,10H2,1H3,(H,21,26)(H,22,23)