ethyl 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoate CAS Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoate Traditional Name: 4-[(N-mesyl-3-methyl-anilino)methyl]benzoic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C)S(=O)(=O)C

InChI

InChI=1S/C18H21NO4S/c1-4-23-18(20)16-10-8-15(9-11-16)13-19(24(3,21)22)17-7-5-6-14(2)12-17/h5-12H,4,13H2,1-3H3