[5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[ethylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[ethylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H28N2O5S MolecularWeight: 372.47962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O5S/c1-7-18-17(20)19(12(2)3)11-14-8-9-15(23-6)16(10-14)24-25(21,22)13(4)5/h8-10,12-13H,7,11H2,1-6H3,(H,18,20)