4-[[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(azepan-1-ylsulfonyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(azepan-1-ylsulfonyl)benzoyl]piperazino]methyl]benzonitrile Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H30N4O3S/c26-19-21-8-10-22(11-9-21)20-27-14-16-28(17-15-27)25(30)23-6-5-7-24(18-23)33(31,32)29-12-3-1-2-4-13-29/h5-11,18H,1-4,12-17,20H2