2-(3-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3-methylphenoxy)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-methylphenoxy)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-14-5-4-6-15(11-14)27-13-19(24)22-20-21-17-8-7-16(12-18(17)28-20)29(25,26)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,22,24)