piperazin-1-yl 4-[2-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]ethyl]benzenesulfonate

Systemtic Name: piperazin-1-yl 4-[2-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]ethyl]benzenesulfonate Openeye Name: piperazin-1-yl 4-[2-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]ethyl]benzenesulfonate CAS Name: 4-[2-[3-[4-(1-pyrrolidinylmethyl)phenyl]cyclobutyl]ethyl]benzenesulfonic acid 1-piperazinyl ester IUPAC Name: piperazin-1-yl 4-[2-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]ethyl]benzenesulfonate Traditional Name: 4-[2-[3-[4-(pyrrolidinomethyl)phenyl]cyclobutyl]ethyl]benzenesulfonic acid piperazino ester Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C3CC(C3)CCC4=CC=C(C=C4)S(=O)(=O)ON5CCNCC5

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C3CC(C3)CCC4=CC=C(C=C4)S(=O)(=O)ON5CCNCC5

InChI

InChI=1S/C27H37N3O3S/c31-34(32,33-30-17-13-28-14-18-30)27-11-7-22(8-12-27)3-4-24-19-26(20-24)25-9-5-23(6-10-25)21-29-15-1-2-16-29/h5-12,24,26,28H,1-4,13-21H2