N-[2-(3-bromanylphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]-3-methyl-but-2-enamide

Systemtic Name: N-[2-(3-bromanylphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]-3-methyl-but-2-enamide Openeye Name: N-[2-(3-bromophenoxy)-5-morpholinosulfonyl-phenyl]-3-methyl-but-2-enamide CAS Name: N-[2-(3-bromophenoxy)-5-(4-morpholinylsulfonyl)phenyl]-3-methyl-2-butenamide IUPAC Name: N-[2-(3-bromophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide Traditional Name: N-[2-(3-bromophenoxy)-5-morpholinosulfonyl-phenyl]-3-methyl-but-2-enamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OC3=CC(=CC=C3)Br)C

InChI

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