(E)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C20H18FN3O4S2 MolecularWeight: 447.503023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C20H18FN3O4S2/c21-15-4-7-17-18(13-15)29-20(22-17)23-19(25)8-3-14-1-5-16(6-2-14)30(26,27)24-9-11-28-12-10-24/h1-8,13H,9-12H2,(H,22,23,25)/b8-3+