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

Systemtic Name: [4-[[cyclopropyl(ethanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[acetyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[acetyl(cyclopropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[acetyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11(2)21(18,19)20-15-8-4-13(5-9-15)10-16(12(3)17)14-6-7-14/h4-5,8-9,11,14H,6-7,10H2,1-3H3