2-[phenyl-(phenylmethyl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[phenyl-(phenylmethyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(N-benzylanilino)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(N-(phenylmethyl)anilino)ethyl ester IUPAC Name: 2-(N-benzylanilino)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(N-benzylanilino)ethyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3S/c1-19-12-14-22(15-13-19)27(24,25)26-17-16-23(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3