[3-(ethoxycarbonylamino)phenyl] 4-bromanyl-3-methyl-benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid [3-(carbethoxyamino)phenyl] ester Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H16BrNO5S/c1-3-22-16(19)18-12-5-4-6-13(10-12)23-24(20,21)14-7-8-15(17)11(2)9-14/h4-10H,3H2,1-2H3,(H,18,19)