1-[4-(5-cyano-1-methylsulfonyl-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-cyano-1-methylsulfonyl-indol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid Openeye Name: 1-[[4-(5-cyano-1-methylsulfonyl-indol-3-yl)-1-piperidyl]sulfonyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(5-cyano-1-methylsulfonyl-3-indolyl)-1-piperidinyl]sulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(5-cyano-1-methylsulfonylindol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(5-cyano-1-mesyl-indol-3-yl)piperidino]sulfonylpipecolinic acid Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=C1C=CC(=C2)C#N)C3CCN(CC3)S(=O)(=O)N4CCCCC4C(=O)O

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=C1C=CC(=C2)C#N)C3CCN(CC3)S(=O)(=O)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H26N4O6S2/c1-32(28,29)25-14-18(17-12-15(13-22)5-6-19(17)25)16-7-10-23(11-8-16)33(30,31)24-9-3-2-4-20(24)21(26)27/h5-6,12,14,16,20H,2-4,7-11H2,1H3,(H,26,27)