[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-fluorophenyl)acrylic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C23H25FN2O6S MolecularWeight: 476.517803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25FN2O6S/c1-31-20-11-10-18(15-21(20)33(29,30)26-13-5-2-6-14-26)25-22(27)16-32-23(28)12-9-17-7-3-4-8-19(17)24/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,25,27)/b12-9+