[6-(phenylmethyl)-6-azaspiro[2.4]heptan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-(phenylmethyl)-6-azaspiro[2.4]heptan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (6-benzyl-6-azaspiro[2.4]heptan-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(phenylmethyl)-6-azaspiro[2.4]heptan-2-yl]methyl ester IUPAC Name: (6-benzyl-6-azaspiro[2.4]heptan-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-benzyl-6-azaspiro[2.4]heptan-2-yl)methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC23CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC23CCN(C3)CC4=CC=CC=C4

InChI

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