N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(3-morpholinosulfonylphenyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-(4-morpholinylsulfonyl)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(3-morpholinosulfonylphenyl)-2-(phenylthio)nicotinamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S2/c26-21(20-10-5-11-23-22(20)30-18-7-2-1-3-8-18)24-17-6-4-9-19(16-17)31(27,28)25-12-14-29-15-13-25/h1-11,16H,12-15H2,(H,24,26)