(E)-3-(2-bromanyl-4-methyl-phenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-3-(2-bromo-4-methylphenyl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acrylamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-15-3-4-16(18(22)13-15)5-8-21(25)23-19-14-17(6-7-20(19)28-2)30(26,27)24-9-11-29-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)/b8-5+