4-methyl-3-[[3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-7-yl]methyl]benzenesulfonate

Systemtic Name: 4-methyl-3-[[3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-7-yl]methyl]benzenesulfonate Openeye Name: 3-[(3-benzyl-3-azabicyclo[2.2.1]heptan-7-yl)methyl]-4-methyl-benzenesulfonate CAS Name: 4-methyl-3-[[3-(phenylmethyl)-3-azabicyclo[2.2.1]heptan-7-yl]methyl]benzenesulfonate IUPAC Name: 3-[(3-benzyl-3-azabicyclo[2.2.1]heptan-7-yl)methyl]-4-methylbenzenesulfonate Traditional Name: 3-[(3-benzyl-3-azabicyclo[2.2.1]heptan-7-yl)methyl]-4-methyl-besylate Formula: C21H24NO3S- MolecularWeight: 370.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CC2C3CCC2N(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])CC2C3CCC2N(C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25NO3S/c1-15-7-9-19(26(23,24)25)11-18(15)12-20-17-8-10-21(20)22(14-17)13-16-5-3-2-4-6-16/h2-7,9,11,17,20-21H,8,10,12-14H2,1H3,(H,23,24,25)/p-1