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

Systemtic Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(2-methylphenoxy)propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O4S/c1-17-4-2-3-5-20(17)28-15-10-21(25)23-11-13-24(14-12-23)29(26,27)19-8-6-18(16-22)7-9-19/h2-9H,10-15H2,1H3