4-[4-[3-(4-ethanoyl-5-methyl-furan-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(4-ethanoyl-5-methyl-furan-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(4-acetyl-5-methyl-2-furyl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(4-acetyl-5-methyl-2-furanyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(4-acetyl-5-methylfuran-2-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(4-acetyl-5-methyl-2-furyl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C(=O)C

InChI

InChI=1S/C21H23N3O5S/c1-15(25)20-13-18(29-16(20)2)5-8-21(26)23-9-11-24(12-10-23)30(27,28)19-6-3-17(14-22)4-7-19/h3-4,6-7,13H,5,8-12H2,1-2H3