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

Systemtic Name: 2-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[4-(4-hydroxyphenyl)piperazino]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H27N5O4S/c24-17-19-3-1-2-4-22(19)33(31,32)28-15-13-27(14-16-28)23(30)18-25-9-11-26(12-10-25)20-5-7-21(29)8-6-20/h1-8,29H,9-16,18H2