2-[2-(azepan-1-yl)-2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[2-(azepan-1-yl)-2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[2-(1-azepanyl)-2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[2-(azepan-1-yl)-2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]piperidino]sulfonylbenzonitrile Formula: C28H39N7O2S MolecularWeight: 537.71996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2(CCCCN2S(=O)(=O)C3=CC=CC=C3C#N)NC4=NC=CC(=N4)C5CCCNCC5

Isomeric SMILES

C1CCCN(CC1)C2(CCCCN2S(=O)(=O)C3=CC=CC=C3C#N)NC4=NC=CC(=N4)C5CCCNCC5

InChI

InChI=1S/C28H39N7O2S/c29-22-24-10-3-4-12-26(24)38(36,37)35-21-8-5-15-28(35,34-19-6-1-2-7-20-34)33-27-31-18-14-25(32-27)23-11-9-16-30-17-13-23/h3-4,10,12,14,18,23,30H,1-2,5-9,11,13,15-17,19-21H2,(H,31,32,33)