[4-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)CCC2CCCC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C20H31NO4S/c1-4-26(23,24)25-19-12-9-18(10-13-19)15-21(16(2)3)20(22)14-11-17-7-5-6-8-17/h9-10,12-13,16-17H,4-8,11,14-15H2,1-3H3