2-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(4-ethoxyphenoxy)-1-oxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazino]sulfonylbenzonitrile Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H27N3O5S/c1-2-30-20-9-11-21(12-10-20)31-17-5-8-23(27)25-13-15-26(16-14-25)32(28,29)22-7-4-3-6-19(22)18-24/h3-4,6-7,9-12H,2,5,8,13-17H2,1H3