[4-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclopropyl(2-methoxyethanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)COC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)COC

InChI

InChI=1S/C16H23NO5S/c1-12(2)23(19,20)22-15-8-4-13(5-9-15)10-17(14-6-7-14)16(18)11-21-3/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3