6-chloranyl-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-methylsulfonylpropyl)indole-2-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-methylsulfonylpropyl)indole-2-carboxamide Openeye Name: 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-methylsulfonylpropyl)indole-2-carboxamide CAS Name: 6-chloro-N-[2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-1-(3-methylsulfonylpropyl)-2-indolecarboxamide IUPAC Name: 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-methylsulfonylpropyl)indole-2-carboxamide Traditional Name: 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-(3-mesylpropyl)indole-2-carboxamide Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCN1C(=CC2=C1C=C(C=C2)Cl)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

CS(=O)(=O)CCCN1C(=CC2=C1C=C(C=C2)Cl)C(=O)NC3CCCCC3C(=O)NCC#N

InChI

InChI=1S/C22H27ClN4O4S/c1-32(30,31)12-4-11-27-19-14-16(23)8-7-15(19)13-20(27)22(29)26-18-6-3-2-5-17(18)21(28)25-10-9-24/h7-8,13-14,17-18H,2-6,10-12H2,1H3,(H,25,28)(H,26,29)