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

Systemtic Name: [3-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[2-methoxyethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isopropylcarbamoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C17H28N2O5S MolecularWeight: 372.47962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O5S/c1-13(2)18-17(20)19(9-10-23-5)12-15-7-6-8-16(11-15)24-25(21,22)14(3)4/h6-8,11,13-14H,9-10,12H2,1-5H3,(H,18,20)