N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C18H18N2O5S2/c1-24-14-8-13-16(9-15(14)25-2)26-18(19-13)20-17(21)11-27(22,23)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,20,21)