[2-methoxy-5-[[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-methoxy-5-[[2-methoxyethyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC=CS2)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC=CS2)OC

InChI

InChI=1S/C19H25NO6S2/c1-14(2)28(22,23)26-17-12-15(7-8-16(17)25-4)13-20(9-10-24-3)19(21)18-6-5-11-27-18/h5-8,11-12,14H,9-10,13H2,1-4H3