2-chloroethyl 4-[(phenylmethyl)-(phenylsulfonyl)amino]benzoate

Systemtic Name: 2-chloroethyl 4-[(phenylmethyl)-(phenylsulfonyl)amino]benzoate Openeye Name: 2-chloroethyl 4-[benzenesulfonyl(benzyl)amino]benzoate CAS Name: 4-[benzenesulfonyl-(phenylmethyl)amino]benzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-[benzenesulfonyl(benzyl)amino]benzoate Traditional Name: 4-[benzyl(besyl)amino]benzoic acid 2-chloroethyl ester Formula: C22H20ClNO4S MolecularWeight: 429.9165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)OCCCl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C(=O)OCCCl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO4S/c23-15-16-28-22(25)19-11-13-20(14-12-19)24(17-18-7-3-1-4-8-18)29(26,27)21-9-5-2-6-10-21/h1-14H,15-17H2