4-chloranyl-3-nitro-N-[4-(3-oxidanylpentan-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-3-nitro-N-[4-(3-oxidanylpentan-3-yl)-1,3-thiazol-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[4-(1-ethyl-1-hydroxy-propyl)thiazol-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-(3-hydroxypentan-3-yl)-2-thiazolyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-(1-ethyl-1-hydroxy-propyl)thiazol-2-yl]-3-nitro-benzenesulfonamide Formula: C14H16ClN3O5S2 MolecularWeight: 405.87694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CSC(=N1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])O

Isomeric SMILES

CCC(CC)(C1=CSC(=N1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C14H16ClN3O5S2/c1-3-14(19,4-2)12-8-24-13(16-12)17-25(22,23)9-5-6-10(15)11(7-9)18(20)21/h5-8,19H,3-4H2,1-2H3,(H,16,17)