(3R)-3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-propionamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S2/c1-12(23)20-16(13-6-4-3-5-7-13)11-18(24)22-19-21-15-9-8-14(28(2,25)26)10-17(15)27-19/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24)/t16-/m1/s1