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

Systemtic Name: 4-[4-[2-(3-tert-butylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(3-tert-butylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(3-tert-butylphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(3-tert-butylphenoxy)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(3-tert-butylphenoxy)propanoyl]piperazino]sulfonylbenzonitrile Formula: C24H29N3O4S MolecularWeight: 455.56976

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-18(31-21-7-5-6-20(16-21)24(2,3)4)23(28)26-12-14-27(15-13-26)32(29,30)22-10-8-19(17-25)9-11-22/h5-11,16,18H,12-15H2,1-4H3