[4-[(propan-2-ylamino)methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[(propan-2-ylamino)methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[(isopropylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[(propan-2-ylamino)methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[(isopropylamino)methyl]phenyl] ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-10(2)14-9-12-5-7-13(8-6-12)17-18(15,16)11(3)4/h5-8,10-11,14H,9H2,1-4H3