3-[[4-(1,8-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,8-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[1,8-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=NC4=C(C=CC=N4)C=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=NC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C21H19N5O3S/c22-15-16-4-1-6-18(14-16)30(28,29)26-11-3-10-25(12-13-26)21(27)19-8-7-17-5-2-9-23-20(17)24-19/h1-2,4-9,14H,3,10-13H2