N-[(2S)-1-[(1S,4S)-5-[(3R)-4-[2,5-bis(chloranyl)phenyl]sulfonylmorpholin-3-yl]carbonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-5-fluoranyl-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-[(1S,4S)-5-[(3R)-4-[2,5-bis(chloranyl)phenyl]sulfonylmorpholin-3-yl]carbonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-5-fluoranyl-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-[(1S,4S)-5-[(3R)-4-(2,5-dichlorophenyl)sulfonylmorpholine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2,2-dimethyl-propyl]-5-fluoro-1H-indole-2-carboxamide CAS Name: N-[(2S)-1-[(1S,4S)-5-[[(3R)-4-(2,5-dichlorophenyl)sulfonyl-3-morpholinyl]-oxomethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5-fluoro-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-[(1S,4S)-5-[(3R)-4-(2,5-dichlorophenyl)sulfonylmorpholine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5-fluoro-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-[(1S,4S)-5-[(3R)-4-(2,5-dichlorophenyl)sulfonylmorpholine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2,2-dimethyl-propyl]-5-fluoro-1H-indole-2-carboxamide Formula: C31H34Cl2FN5O6S MolecularWeight: 694.600963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)C3COCCN3S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)NC(=O)C5=CC6=C(N5)C=CC(=C6)F

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]3COCCN3S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)NC(=O)C5=CC6=C(N5)C=CC(=C6)F

InChI

InChI=1S/C31H34Cl2FN5O6S/c1-31(2,3)27(36-28(40)24-11-17-10-19(34)5-7-23(17)35-24)30(42)38-15-20-13-21(38)14-37(20)29(41)25-16-45-9-8-39(25)46(43,44)26-12-18(32)4-6-22(26)33/h4-7,10-12,20-21,25,27,35H,8-9,13-16H2,1-3H3,(H,36,40)/t20-,21-,25+,27+/m0/s1