3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazine-1-carbonyl]benzonitrile Formula: C21H23N5O4S MolecularWeight: 441.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H23N5O4S/c22-15-17-2-1-3-18(14-17)21(27)25-8-6-24(7-9-25)20-5-4-19(16-23-20)31(28,29)26-10-12-30-13-11-26/h1-5,14,16H,6-13H2