N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H20N2O4S2/c1-3-25-14-6-9-16-17(12-14)26-19(20-16)21-18(22)10-11-27(23,24)15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22)