[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl 4-methylbenzenesulfonate Openeye Name: [3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[4-(1-pyrrolidinylmethyl)phenyl]cyclobutyl]methyl ester IUPAC Name: [3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[4-(pyrrolidinomethyl)phenyl]cyclobutyl]methyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C2)C3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C2)C3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C23H29NO3S/c1-18-4-10-23(11-5-18)28(25,26)27-17-20-14-22(15-20)21-8-6-19(7-9-21)16-24-12-2-3-13-24/h4-11,20,22H,2-3,12-17H2,1H3