N-[2-[5-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-[2-[5-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-2,4-dinitro-benzenesulfonamide Openeye Name: N-[2-[5-[2-(7-azabicyclo[2.2.1]heptan-7-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-2,4-dinitro-benzenesulfonamide CAS Name: N-[2-[5-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-[2-(3-imidazo[4,5-b]pyridinyl)ethyl]-2,4-dinitrobenzenesulfonamide IUPAC Name: N-[2-[5-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-2,4-dinitrobenzenesulfonamide Traditional Name: N-[2-[5-[2-(7-azabicyclo[2.2.1]heptan-7-yl)-2-keto-1,1-dimethyl-ethyl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]-N-(2-imidazo[4,5-b]pyridin-3-ylethyl)-2,4-dinitro-benzenesulfonamide Formula: C43H46N8O7S MolecularWeight: 818.93974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4C5CCC4CC5)C(C)CN(CCN6C=NC7=C6N=CC=C7)S(=O)(=O)C8=C(C=C(C=C8)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)N4C5CCC4CC5)C(C)CN(CCN6C=NC7=C6N=CC=C7)S(=O)(=O)C8=C(C=C(C=C8)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C43H46N8O7S/c1-26-19-27(2)21-29(20-26)40-39(34-22-30(8-14-35(34)46-40)43(4,5)42(52)49-31-9-10-32(49)12-11-31)28(3)24-48(18-17-47-25-45-36-7-6-16-44-41(36)47)59(57,58)38-15-13-33(50(53)54)23-37(38)51(55)56/h6-8,13-16,19-23,25,28,31-32,46H,9-12,17-18,24H2,1-5H3