2-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylamino]-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylamino]-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-morpholinosulfonyl-benzoic acid Formula: C20H20ClN3O5S2 MolecularWeight: 481.9729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C20H20ClN3O5S2/c21-13-1-4-18-17(11-13)23-19(30-18)5-6-22-16-3-2-14(12-15(16)20(25)26)31(27,28)24-7-9-29-10-8-24/h1-4,11-12,22H,5-10H2,(H,25,26)