2-[4-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3S/c26-19-23-9-4-5-10-24(23)34(32,33)30-17-15-29(16-18-30)25(31)21-28-12-6-11-27(13-14-28)20-22-7-2-1-3-8-22/h1-5,7-10H,6,11-18,20-21H2