2-[4-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(6-morpholino-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[[6-(4-morpholinyl)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(6-morpholino-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCOCC3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CCOCC3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C20H24N6O3S/c21-15-17-3-1-6-22-20(17)25-7-2-8-26(10-9-25)30(27,28)18-4-5-19(23-16-18)24-11-13-29-14-12-24/h1,3-6,16H,2,7-14H2