2-(1,3-benzothiazol-2-ylamino)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)propionamide Formula: C20H21FN4O4S2 MolecularWeight: 464.533543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21FN4O4S2/c1-13(22-20-24-16-4-2-3-5-17(16)30-20)19(26)23-14-6-7-15(21)18(12-14)31(27,28)25-8-10-29-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,23,26)