3-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[1,6-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(1,6-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=C3)C=NC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=NC4=C(C=C3)C=NC=C4

InChI

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