2-(2-methyl-4-nitro-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-methyl-4-nitro-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-methyl-4-nitro-phenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-methyl-4-nitrophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-methyl-4-nitrophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitro-phenoxy)acetamide Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H15N3O6S2/c1-10-7-11(20(22)23)3-6-14(10)26-9-16(21)19-17-18-13-5-4-12(28(2,24)25)8-15(13)27-17/h3-8H,9H2,1-2H3,(H,18,19,21)