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]-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]-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]-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]-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]-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]-2,4-dinitro-benzenesulfonamide Formula: C35H39N5O7S MolecularWeight: 673.77846

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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)CNS(=O)(=O)C6=C(C=C(C=C6)[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)CNS(=O)(=O)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C35H39N5O7S/c1-20-14-21(2)16-23(15-20)33-32(22(3)19-36-48(46,47)31-13-11-27(39(42)43)18-30(31)40(44)45)28-17-24(6-12-29(28)37-33)35(4,5)34(41)38-25-7-8-26(38)10-9-25/h6,11-18,22,25-26,36-37H,7-10,19H2,1-5H3