[3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[ethylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C16H26N2O5S MolecularWeight: 358.45304

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C(C)C

Isomeric SMILES

CCNC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)C(C)C

InChI

InChI=1S/C16H26N2O5S/c1-5-17-16(19)18(9-10-22-4)12-14-7-6-8-15(11-14)23-24(20,21)13(2)3/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,17,19)