(2-azanyl-3-bromanyl-5-methyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-azanyl-3-bromanyl-5-methyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-amino-3-bromo-5-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-amino-3-bromo-5-methylphenyl) ester IUPAC Name: (2-amino-3-bromo-5-methylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-amino-3-bromo-5-methyl-phenyl) ester Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)C)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)C)Br)N

InChI

InChI=1S/C14H14BrNO3S/c1-9-3-5-11(6-4-9)20(17,18)19-13-8-10(2)7-12(15)14(13)16/h3-8H,16H2,1-2H3