[3-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [3-[[ethanoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[[acetyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-[[acetyl(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[[acetyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1CCCO1)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N(CC1CCCO1)CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO6S/c1-16(23)22(15-20-7-4-12-27-20)14-17-5-3-6-19(13-17)28-29(24,25)21-10-8-18(26-2)9-11-21/h3,5-6,8-11,13,20H,4,7,12,14-15H2,1-2H3