2-[4-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5-methoxy-3-methyl-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(5-methoxy-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5-methoxy-3-methyl-benzofuran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N3O5S/c1-15-18-13-17(29-2)7-8-19(18)30-21(15)22(26)24-9-11-25(12-10-24)31(27,28)20-6-4-3-5-16(20)14-23/h3-8,13H,9-12H2,1-2H3