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

Systemtic Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O4S2/c1-15-2-8-18-19(14-15)29-21(22-18)23-20(25)9-5-16-3-6-17(7-4-16)30(26,27)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3,(H,22,23,25)/b9-5+