N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenoxy)ethanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenoxy)ethanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenoxy)acetamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenoxy)acetamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenoxy)acetamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenoxy)acetamide Formula: C16H13N3O6S2 MolecularWeight: 407.42092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S2/c1-27(23,24)12-5-6-13-14(8-12)26-16(17-13)18-15(20)9-25-11-4-2-3-10(7-11)19(21)22/h2-8H,9H2,1H3,(H,17,18,20)