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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]benzonitrile Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C18H26N4O2S/c19-15-17-7-3-4-8-18(17)16-20-11-13-22(14-12-20)25(23,24)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-14,16H2