1,3-benzothiazol-2-ylmethyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17BrN2O5S2 MolecularWeight: 497.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C19H17BrN2O5S2/c20-14-6-5-13(11-17(14)29(24,25)22-7-9-26-10-8-22)19(23)27-12-18-21-15-3-1-2-4-16(15)28-18/h1-6,11H,7-10,12H2