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

Systemtic Name: [5-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclopropyl(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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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)C2CC2

Isomeric SMILES

CCNC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C2CC2

InChI

InChI=1S/C17H26N2O5S/c1-5-18-17(20)19(14-7-8-14)11-13-6-9-15(23-4)16(10-13)24-25(21,22)12(2)3/h6,9-10,12,14H,5,7-8,11H2,1-4H3,(H,18,20)