3-[methyl(phenyl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[methyl(phenyl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-(N-methylanilino)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(N-methylanilino)propyl ester IUPAC Name: 3-(N-methylanilino)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(N-methylanilino)propyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(C)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-15-9-11-17(12-10-15)22(19,20)21-14-6-13-18(2)16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3