3-[(4-cyanophenyl)amino]propyl benzenesulfonate

Systemtic Name: 3-[(4-cyanophenyl)amino]propyl benzenesulfonate Openeye Name: 3-(4-cyanoanilino)propyl benzenesulfonate CAS Name: benzenesulfonic acid 3-(4-cyanoanilino)propyl ester IUPAC Name: 3-(4-cyanoanilino)propyl benzenesulfonate Traditional Name: benzenesulfonic acid 3-(4-cyanoanilino)propyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H16N2O3S/c17-13-14-7-9-15(10-8-14)18-11-4-12-21-22(19,20)16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-12H2