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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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