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

Systemtic Name: N-[(2S)-1-[(1S,4S)-5-[1-[2,5-bis(chloranyl)phenyl]sulfonylazetidin-3-yl]carbonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-[(1S,4S)-5-[1-(2,5-dichlorophenyl)sulfonylazetidine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-1-[(1S,4S)-5-[[1-(2,5-dichlorophenyl)sulfonyl-3-azetidinyl]-oxomethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-[(1S,4S)-5-[1-(2,5-dichlorophenyl)sulfonylazetidine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-[(1S,4S)-5-[1-(2,5-dichlorophenyl)sulfonylazetidine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide Formula: C30H33Cl2N5O5S MolecularWeight: 646.58452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)C3CN(C3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C3CN(C3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C30H33Cl2N5O5S/c1-30(2,3)26(34-27(38)24-10-17-6-4-5-7-23(17)33-24)29(40)37-16-20-12-21(37)15-36(20)28(39)18-13-35(14-18)43(41,42)25-11-19(31)8-9-22(25)32/h4-11,18,20-21,26,33H,12-16H2,1-3H3,(H,34,38)/t20-,21-,26+/m0/s1