2-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[4-(4-cyanobenzyl)piperazino]acetyl]piperazino]sulfonylbenzonitrile Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H28N6O3S/c26-17-21-5-7-22(8-6-21)19-28-9-11-29(12-10-28)20-25(32)30-13-15-31(16-14-30)35(33,34)24-4-2-1-3-23(24)18-27/h1-8H,9-16,19-20H2