[4-[(5-bromanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[(5-bromanyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propane-2-sulfonate Openeye Name: [4-[(5-bromothiazol-2-yl)carbamoyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[(5-bromothiazol-2-yl)carbamoyl]phenyl] ester Formula: C13H13BrN2O4S2 MolecularWeight: 405.28732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)Br

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C13H13BrN2O4S2/c1-8(2)22(18,19)20-10-5-3-9(4-6-10)12(17)16-13-15-7-11(14)21-13/h3-8H,1-2H3,(H,15,16,17)