(E)-3-(2-bromophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(2-bromophenyl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(2-bromophenyl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-bromophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(2-bromophenyl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acrylamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=CC=CC=C3Br

InChI

InChI=1S/C21H23BrN2O4S/c1-28-20-11-10-17(29(26,27)24-13-5-2-6-14-24)15-19(20)23-21(25)12-9-16-7-3-4-8-18(16)22/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,25)/b12-9+