2-[bis(phenylmethyl)amino]ethyl 4-chloranylbenzenesulfonate

Systemtic Name: 2-[bis(phenylmethyl)amino]ethyl 4-chloranylbenzenesulfonate Openeye Name: 2-(dibenzylamino)ethyl 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid 2-[bis(phenylmethyl)amino]ethyl ester IUPAC Name: 2-(dibenzylamino)ethyl 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid 2-(dibenzylamino)ethyl ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCOS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCOS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H22ClNO3S/c23-21-11-13-22(14-12-21)28(25,26)27-16-15-24(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-14H,15-18H2