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

Systemtic Name: [5-[(2-dimethylaminoethylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[(2-dimethylaminoethylamino)methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[(2-dimethylaminoethylamino)methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[(2-dimethylaminoethylamino)methyl]-2-methoxy-phenyl] ester Formula: C15H26N2O4S MolecularWeight: 330.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CNCCN(C)C)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CNCCN(C)C)OC

InChI

InChI=1S/C15H26N2O4S/c1-12(2)22(18,19)21-15-10-13(6-7-14(15)20-5)11-16-8-9-17(3)4/h6-7,10,12,16H,8-9,11H2,1-5H3