4-[4-[4-(4-ethanoyl-2-methoxy-phenoxy)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(4-ethanoyl-2-methoxy-phenoxy)butanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(4-acetyl-2-methoxy-phenoxy)butanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[4-(4-acetyl-2-methoxyphenoxy)-1-oxobutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(4-acetyl-2-methoxy-phenoxy)butanoyl]piperazino]sulfonylbenzonitrile Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6S/c1-18(28)20-7-10-22(23(16-20)32-2)33-15-3-4-24(29)26-11-13-27(14-12-26)34(30,31)21-8-5-19(17-25)6-9-21/h5-10,16H,3-4,11-15H2,1-2H3