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

Systemtic Name: [2-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[[ethylcarbamoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[ethylcarbamoyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[[ethylcarbamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1CCCO1)CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCNC(=O)N(CC1CCCO1)CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O6S/c1-3-23-22(25)24(16-19-8-6-14-29-19)15-17-7-4-5-9-21(17)30-31(26,27)20-12-10-18(28-2)11-13-20/h4-5,7,9-13,19H,3,6,8,14-16H2,1-2H3,(H,23,25)