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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O6S/c1-31-20-10-9-19(15-21(20)33(29,30)26-12-3-2-4-13-26)25-22(27)16-32-23(28)11-8-17-6-5-7-18(24)14-17/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,25,27)/b11-8+