[3-(ethoxycarbonylamino)phenyl] 2-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: [3-(ethoxycarbonylamino)phenyl] 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: [3-(ethoxycarbonylamino)phenyl] 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid [3-(ethoxycarbonylamino)phenyl] ester IUPAC Name: [3-(ethoxycarbonylamino)phenyl] 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-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=C(C=C(C=C2)C)Br

Isomeric SMILES

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

InChI

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