(E)-3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(3-fluorophenyl)-N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-fluorophenyl)-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]-2-propenamide IUPAC Name: (E)-3-(3-fluorophenyl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)prop-2-enamide Traditional Name: (E)-3-(3-fluorophenyl)-N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)acrylamide Formula: C23H27FN2O4S MolecularWeight: 446.534883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C23H27FN2O4S/c1-17(2)30-22-11-10-20(31(28,29)26-13-4-3-5-14-26)16-21(22)25-23(27)12-9-18-7-6-8-19(24)15-18/h6-12,15-17H,3-5,13-14H2,1-2H3,(H,25,27)/b12-9+