2-[4-(3-methylbenzo[g][1]benzofuran-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-methylbenzo[g][1]benzofuran-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-methylbenzo[g]benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methyl-2-benzo[g]benzofuranyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-methylbenzo[g]benzofuran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H21N3O4S/c1-17-20-11-10-18-6-2-4-8-21(18)24(20)32-23(17)25(29)27-12-14-28(15-13-27)33(30,31)22-9-5-3-7-19(22)16-26/h2-11H,12-15H2,1H3