1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17ClN2O5S2 MolecularWeight: 452.93168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5S2/c20-15-6-5-13(29(24,25)22-7-9-26-10-8-22)11-14(15)19(23)27-12-18-21-16-3-1-2-4-17(16)28-18/h1-6,11H,7-10,12H2