[bis(phenylmethyl)amino] 4-methylbenzenesulfonate

Systemtic Name: [bis(phenylmethyl)amino] 4-methylbenzenesulfonate Openeye Name: (dibenzylamino) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [bis(phenylmethyl)amino] ester IUPAC Name: (dibenzylamino) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (dibenzylamino) ester Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-18-12-14-21(15-13-18)26(23,24)25-22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3