(E)-3-(1,3-benzothiazol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)acrylamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O5S2/c1-16(2)31-20-8-7-17(33(28,29)26-11-13-30-14-12-26)15-19(20)24-22(27)9-10-23-25-18-5-3-4-6-21(18)32-23/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)/b10-9+