cyclopentane; 3-methanidyl-6-phenylmethoxy-1-(phenylsulfonyl)-3,4-dihydro-2H-indol-4-ide; zirconium(2+)

Systemtic Name: cyclopentane; 3-methanidyl-6-phenylmethoxy-1-(phenylsulfonyl)-3,4-dihydro-2H-indol-4-ide; zirconium(2+) Openeye Name: 1-(benzenesulfonyl)-6-benzyloxy-3-methanidyl-indolin-4-ide; cyclopentane; zirconium(2+) CAS Name: 1-(benzenesulfonyl)-3-methanidyl-6-phenylmethoxy-3,4-dihydro-2H-indol-4-ide; cyclopentane; zirconium(2+) IUPAC Name: 1-(benzenesulfonyl)-3-methanidyl-6-phenylmethoxy-3,4-dihydro-2H-indol-4-ide; cyclopentane; zirconium(2+) Traditional Name: 6-benzoxy-1-besyl-3-methanidyl-indolin-4-ide; cyclopentane; zirconium(2+) Formula: C32H29NO3SZr MolecularWeight: 598.86656

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1CN(C2=C1[C-]=CC(=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

Isomeric SMILES

[CH2-]C1CN(C2=C1[C-]=CC(=C2)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C22H19NO3S.2C5H5.Zr/c1-17-15-23(27(24,25)20-10-6-3-7-11-20)22-14-19(12-13-21(17)22)26-16-18-8-4-2-5-9-18;2*1-2-4-5-3-1;/h2-12,14,17H,1,15-16H2;2*1-5H;/q-2;;;+2