1-cyanoethyl 3-[(5-bromanylpyridin-2-yl)amino]-4-methyl-benzenesulfonate

Systemtic Name: 1-cyanoethyl 3-[(5-bromanylpyridin-2-yl)amino]-4-methyl-benzenesulfonate Openeye Name: 1-cyanoethyl 3-[(5-bromo-2-pyridyl)amino]-4-methyl-benzenesulfonate CAS Name: 3-[(5-bromo-2-pyridinyl)amino]-4-methylbenzenesulfonic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-[(5-bromopyridin-2-yl)amino]-4-methylbenzenesulfonate Traditional Name: 3-[(5-bromo-2-pyridyl)amino]-4-methyl-benzenesulfonic acid 1-cyanoethyl ester Formula: C15H14BrN3O3S MolecularWeight: 396.25896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C#N)NC2=NC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C#N)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C15H14BrN3O3S/c1-10-3-5-13(23(20,21)22-11(2)8-17)7-14(10)19-15-6-4-12(16)9-18-15/h3-7,9,11H,1-2H3,(H,18,19)