N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-benzamide Openeye Name: 4-isopropylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide Traditional Name: 4-isopropylsulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C18H18N2O5S3 MolecularWeight: 438.54092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S3/c1-11(2)28(24,25)13-6-4-12(5-7-13)17(21)20-18-19-15-9-8-14(27(3,22)23)10-16(15)26-18/h4-11H,1-3H3,(H,19,20,21)