(E)-3-(2-bromophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2-bromophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(2-bromophenyl)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-bromophenyl)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-bromophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(2-bromophenyl)-N-(4-piperidinosulfonylbenzyl)acrylamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=CC=C3Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=CC=C3Br

InChI

InChI=1S/C21H23BrN2O3S/c22-20-7-3-2-6-18(20)10-13-21(25)23-16-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-16H2,(H,23,25)/b13-10+