(E)-N-(4-bromophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-bromophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(4-bromophenyl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-N-(4-bromophenyl)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(4-bromophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-N-(4-bromophenyl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23BrN2O4S/c1-28-19-11-5-16(6-12-21(25)23-18-9-7-17(22)8-10-18)15-20(19)29(26,27)24-13-3-2-4-14-24/h5-12,15H,2-4,13-14H2,1H3,(H,23,25)/b12-6+