(E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O5S2/c1-28-17-8-6-15(14-19(17)31(26,27)24-10-12-29-13-11-24)7-9-20(25)23-21-22-16-4-2-3-5-18(16)30-21/h2-9,14H,10-13H2,1H3,(H,22,23,25)/b9-7+