3-(dimethylamino)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(dimethylamino)propyl 4-methylbenzenesulfonate Openeye Name: 3-(dimethylamino)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(dimethylamino)propyl ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)C

InChI

InChI=1S/C12H19NO3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-4-9-13(2)3/h5-8H,4,9-10H2,1-3H3