5-bromanyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 5-bromo-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)nicotinamide Formula: C17H15BrN4O4S2 MolecularWeight: 483.3594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C17H15BrN4O4S2/c18-12-7-11(9-19-10-12)16(23)21-17-20-14-2-1-13(8-15(14)27-17)28(24,25)22-3-5-26-6-4-22/h1-2,7-10H,3-6H2,(H,20,21,23)