N-[(2S)-3-cyclohexyl-1-[2-(5-fluoranyl-2,3-dihydroindol-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-5-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-[2-(5-fluoranyl-2,3-dihydroindol-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-[2-(5-fluoroindolin-1-yl)ethylamino]-2-oxo-ethyl]-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-5-methylsulfonylthiophene-2-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-[2-(5-fluoroindolin-1-yl)ethylamino]-2-keto-ethyl]-5-mesyl-thiophene-2-carboxamide Formula: C25H32FN3O4S2 MolecularWeight: 521.667683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C(=O)NC(CC2CCCCC2)C(=O)NCCN3CCC4=C3C=CC(=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCN3CCC4=C3C=CC(=C4)F

InChI

InChI=1S/C25H32FN3O4S2/c1-35(32,33)23-10-9-22(34-23)25(31)28-20(15-17-5-3-2-4-6-17)24(30)27-12-14-29-13-11-18-16-19(26)7-8-21(18)29/h7-10,16-17,20H,2-6,11-15H2,1H3,(H,27,30)(H,28,31)/t20-/m0/s1