4-[4-[2-(3-chloranylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-(3-chloranylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(3-chlorophenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3-chlorophenoxy)propanoyl]piperazino]sulfonylbenzonitrile Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-15(28-18-4-2-3-17(21)13-18)20(25)23-9-11-24(12-10-23)29(26,27)19-7-5-16(14-22)6-8-19/h2-8,13,15H,9-12H2,1H3