methyl 4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzoate Openeye Name: methyl 4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzoate CAS Name: 4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]benzoate Traditional Name: 4-[[1-(4-mesylphenyl)ethylamino]methyl]benzoic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21NO4S/c1-13(15-8-10-17(11-9-15)24(3,21)22)19-12-14-4-6-16(7-5-14)18(20)23-2/h4-11,13,19H,12H2,1-3H3