2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]sulfonylbenzonitrile Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H24N4O4S2/c18-15-16-7-3-4-8-17(16)26(22,23)19-11-13-21(14-12-19)27(24,25)20-9-5-1-2-6-10-20/h3-4,7-8H,1-2,5-6,9-14H2