[4-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[3-cyclopentylpropanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3CCCC3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)CCC3CCCC3

InChI

InChI=1S/C22H29NO5S/c1-2-29(25,26)28-20-12-9-19(10-13-20)16-23(17-21-8-5-15-27-21)22(24)14-11-18-6-3-4-7-18/h5,8-10,12-13,15,18H,2-4,6-7,11,14,16-17H2,1H3