2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoranyl-2,3-dihydroindol-1-yl)-4-methylsulfonyl-butan-2-yl]propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoranyl-2,3-dihydroindol-1-yl)-4-methylsulfonyl-butan-2-yl]propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-[(5-fluoroindolin-1-yl)methyl]-3-methylsulfonyl-propyl]propanamide CAS Name: 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,3-dihydroindol-1-yl)-4-methylsulfonylbutan-2-yl]propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-(5-fluoro-2,3-dihydroindol-1-yl)-4-methylsulfonylbutan-2-yl]propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[1-[(5-fluoroindolin-1-yl)methyl]-3-mesyl-propyl]propionamide Formula: C29H37FN4O4S MolecularWeight: 556.691883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(CN1CCC2=C1C=CC(=C2)F)NC(=O)C(CC3CCCCC3)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

CS(=O)(=O)CCC(CN1CCC2=C1C=CC(=C2)F)NC(=O)C(CC3CCCCC3)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C29H37FN4O4S/c1-39(36,37)16-14-23(19-34-15-13-21-18-22(30)11-12-26(21)34)31-28(35)25(17-20-7-3-2-4-8-20)33-29-32-24-9-5-6-10-27(24)38-29/h5-6,9-12,18,20,23,25H,2-4,7-8,13-17,19H2,1H3,(H,31,35)(H,32,33)