N-(4-ethylsulfonylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(4-ethylsulfonylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(4-ethylsulfonylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(4-ethylsulfonylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(4-ethylsulfonylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(4-esylphenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C18H18N2O6S2/c1-2-27(23,24)14-9-7-13(8-10-14)19-17(21)11-12-20-18(22)15-5-3-4-6-16(15)28(20,25)26/h3-10H,2,11-12H2,1H3,(H,19,21)