N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O6S2/c1-26-13-7-12(20(22)23)8-14-16(13)19-17(27-14)18-15(21)10-28(24,25)9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,18,19,21)