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

Systemtic Name: 4-[4-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-bromo-3-methyl-benzofuran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O4S/c1-14-18-12-16(22)4-7-19(18)29-20(14)21(26)24-8-10-25(11-9-24)30(27,28)17-5-2-15(13-23)3-6-17/h2-7,12H,8-11H2,1H3