[2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C24H29FN2O6S MolecularWeight: 492.560263

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H29FN2O6S/c1-3-26(16-18-10-11-22(32-2)21(25)14-18)23(28)17-33-24(29)19-8-7-9-20(15-19)34(30,31)27-12-5-4-6-13-27/h7-11,14-15H,3-6,12-13,16-17H2,1-2H3