4-(bromomethyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(bromomethyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(bromomethyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(bromomethyl)-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(bromomethyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(bromomethyl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)CBr

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)CBr

InChI

InChI=1S/C19H18BrN3O3S2/c20-12-13-3-5-14(6-4-13)18(24)22-19-21-16-8-7-15(11-17(16)27-19)28(25,26)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,21,22,24)