4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-methyl-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-2-pyrrol-1-yl-3-furonitrile Formula: C21H19FN4O4S MolecularWeight: 442.463363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O4S/c1-15-19(18(14-23)21(30-15)25-8-2-3-9-25)20(27)24-10-12-26(13-11-24)31(28,29)17-6-4-16(22)5-7-17/h2-9H,10-13H2,1H3