carbanide; cyclopentane; N-(3-phenylmethoxybenzene-5-id-1-yl)-N-prop-2-enyl-benzenesulfonamide; zirconium(2+)

Systemtic Name: carbanide; cyclopentane; N-(3-phenylmethoxybenzene-5-id-1-yl)-N-prop-2-enyl-benzenesulfonamide; zirconium(2+) Openeye Name: N-allyl-N-(3-benzyloxybenzene-5-id-1-yl)benzenesulfonamide; carbanide; cyclopentane; zirconium(2+) CAS Name: carbanide; cyclopentane; N-(3-phenylmethoxy-1-benzene-5-idyl)-N-prop-2-enylbenzenesulfonamide; zirconium(2+) IUPAC Name: carbanide; cyclopentane; N-(3-phenylmethoxybenzene-5-id-1-yl)-N-prop-2-enylbenzenesulfonamide; zirconium(2+) Traditional Name: N-allyl-N-(3-benzoxybenzene-5-id-1-yl)benzenesulfonamide; carbanide; cyclopentane; zirconium(2+) Formula: C33H33NO3SZr MolecularWeight: 614.90902

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].C=CCN(C1=CC(=C[C-]=C1)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

Isomeric SMILES

[CH3-].C=CCN(C1=CC(=C[C-]=C1)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C22H20NO3S.2C5H5.CH3.Zr/c1-2-16-23(27(24,25)22-14-7-4-8-15-22)20-12-9-13-21(17-20)26-18-19-10-5-3-6-11-19;2*1-2-4-5-3-1;;/h2-8,10-15,17H,1,16,18H2;2*1-5H;1H3;/q-1;;;-1;+2