N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H15ClN2O3S2/c1-11-7-8-13(18)16-15(11)20-17(24-16)19-14(21)10-25(22,23)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,19,20,21)