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

Systemtic Name: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

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