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

Systemtic Name: [5-[(butan-2-ylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [2-methoxy-5-[(sec-butylamino)methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[(butan-2-ylamino)methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-methoxy-5-[(sec-butylamino)methyl]phenyl] ester Formula: C15H25NO4S MolecularWeight: 315.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO4S/c1-6-12(4)16-10-13-7-8-14(19-5)15(9-13)20-21(17,18)11(2)3/h7-9,11-12,16H,6,10H2,1-5H3