[3-[(butan-2-ylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[(butan-2-ylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[(sec-butylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[(butan-2-ylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[(sec-butylamino)methyl]phenyl] ester Formula: C14H23NO3S MolecularWeight: 285.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC(=CC=C1)OS(=O)(=O)C(C)C

Isomeric SMILES

CCC(C)NCC1=CC(=CC=C1)OS(=O)(=O)C(C)C

InChI

InChI=1S/C14H23NO3S/c1-5-12(4)15-10-13-7-6-8-14(9-13)18-19(16,17)11(2)3/h6-9,11-12,15H,5,10H2,1-4H3