2-[4-[(7-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(7-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(7-chloro-3-methyl-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(7-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(7-chloro-3-methyl-benzofuran-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18ClN3O4S/c1-14-16-6-4-7-17(22)20(16)29-19(14)21(26)24-9-11-25(12-10-24)30(27,28)18-8-3-2-5-15(18)13-23/h2-8H,9-12H2,1H3