N-[(2S)-1-[(1S,4S)-5-[(3S)-1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidin-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-[(3S)-1-[2,5-bis(chloranyl)phenyl]sulfonylpiperidin-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-[(3S)-1-(2,5-dichlorophenyl)sulfonylpiperidine-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-[[(3S)-1-(2,5-dichlorophenyl)sulfonyl-3-piperidinyl]-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-[(3S)-1-(2,5-dichlorophenyl)sulfonylpiperidine-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-[(3S)-1-(2,5-dichlorophenyl)sulfonylnipecotoyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-2,2-dimethyl-propyl]-1H-indole-2-carboxamide Formula: C32H37Cl2N5O5S MolecularWeight: 674.63768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)C3CCCN(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)[C@H]3CCCN(C3)S(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C32H37Cl2N5O5S/c1-32(2,3)28(36-29(40)26-13-19-7-4-5-9-25(19)35-26)31(42)39-18-22-15-23(39)17-38(22)30(41)20-8-6-12-37(16-20)45(43,44)27-14-21(33)10-11-24(27)34/h4-5,7,9-11,13-14,20,22-23,28,35H,6,8,12,15-18H2,1-3H3,(H,36,40)/t20-,22-,23-,28+/m0/s1