(E)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-(4-fluorophenyl)acrylamide Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3S/c1-25(2)21-12-11-19(30(28,29)26-14-4-3-5-15-26)16-20(21)24-22(27)13-8-17-6-9-18(23)10-7-17/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,27)/b13-8+