N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H15N3O4S2/c1-10(21)18-12-6-7-14-15(9-12)25-17(19-14)20-16(22)11-4-3-5-13(8-11)26(2,23)24/h3-9H,1-2H3,(H,18,21)(H,19,20,22)