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

Systemtic Name: [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[tert-butylcarbamoyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)NC(C)(C)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)NC(C)(C)C)OC

InChI

InChI=1S/C19H30N2O5S/c1-13(2)27(23,24)26-17-11-14(7-10-16(17)25-6)12-21(15-8-9-15)18(22)20-19(3,4)5/h7,10-11,13,15H,8-9,12H2,1-6H3,(H,20,22)