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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-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=C3S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

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