2-(2-chloranyl-4-nitro-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(2-chloro-4-nitrophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H14ClN3O6S2 MolecularWeight: 455.89256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O6S2/c1-9(27-14-6-3-10(21(23)24)7-12(14)18)16(22)20-17-19-13-5-4-11(29(2,25)26)8-15(13)28-17/h3-9H,1-2H3,(H,19,20,22)