5-fluoranyl-3-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-1H-indole-7-carbonitrile

Systemtic Name: 5-fluoranyl-3-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-1H-indole-7-carbonitrile Openeye Name: 3-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]sulfonyl-5-fluoro-1H-indole-7-carbonitrile CAS Name: 3-[[(2R)-4-benzoyl-2-methyl-1-piperazinyl]sulfonyl]-5-fluoro-1H-indole-7-carbonitrile IUPAC Name: 3-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]sulfonyl-5-fluoro-1H-indole-7-carbonitrile Traditional Name: 3-[(2R)-4-benzoyl-2-methyl-piperazino]sulfonyl-5-fluoro-1H-indole-7-carbonitrile Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=C(C=C3C#N)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CNC3=C2C=C(C=C3C#N)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19FN4O3S/c1-14-13-25(21(27)15-5-3-2-4-6-15)7-8-26(14)30(28,29)19-12-24-20-16(11-23)9-17(22)10-18(19)20/h2-6,9-10,12,14,24H,7-8,13H2,1H3/t14-/m1/s1