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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C19H19N3O4S2/c1-12-3-6-15(7-4-12)28(25,26)10-9-18(24)22-19-21-16-8-5-14(20-13(2)23)11-17(16)27-19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22,24)