methyl 2-[(2-bromanyl-4-methyl-phenyl)sulfonyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[(2-bromanyl-4-methyl-phenyl)sulfonyl-methyl-amino]benzoate Openeye Name: methyl 2-[(2-bromo-4-methyl-phenyl)sulfonyl-methyl-amino]benzoate CAS Name: 2-[(2-bromo-4-methylphenyl)sulfonyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-4-methylphenyl)sulfonyl-methylamino]benzoate Traditional Name: 2-[(2-bromo-4-methyl-phenyl)sulfonyl-methyl-amino]benzoic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C16H16BrNO4S/c1-11-8-9-15(13(17)10-11)23(20,21)18(2)14-7-5-4-6-12(14)16(19)22-3/h4-10H,1-3H3