methyl 4-[[(4-bromanyl-3-methyl-phenyl)sulfonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-bromanyl-3-methyl-phenyl)sulfonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-bromo-3-methyl-phenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-bromo-3-methylphenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-bromo-3-methylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-bromo-3-methyl-phenyl)sulfonylamino]methyl]benzoic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C16H16BrNO4S/c1-11-9-14(7-8-15(11)17)23(20,21)18-10-12-3-5-13(6-4-12)16(19)22-2/h3-9,18H,10H2,1-2H3