2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[(5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[(5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[(5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C18H19N4O5S2+ MolecularWeight: 435.49726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC(=O)[N+]4=C(N3)SC=C4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC(=O)[N+]4=C(N3)SC=C4)C(=O)N

InChI

InChI=1S/C18H18N4O5S2/c19-17(24)14-10-13(29(25,26)21-5-1-2-6-21)3-4-15(14)27-11-12-9-16(23)22-7-8-28-18(22)20-12/h3-4,7-10H,1-2,5-6,11H2,(H2,19,24)/p+1