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

Systemtic Name: 4-[4-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(4-benzylpiperazino)acetyl]piperazino]sulfonylbenzonitrile Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O3S/c25-18-21-6-8-23(9-7-21)33(31,32)29-16-14-28(15-17-29)24(30)20-27-12-10-26(11-13-27)19-22-4-2-1-3-5-22/h1-9H,10-17,19-20H2