[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl] ester Formula: C20H22ClFN2O5S2 MolecularWeight: 488.980483

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22ClFN2O5S2/c1-23(12-15-6-8-18(21)30-15)19(25)13-29-20(26)14-5-7-16(22)17(11-14)31(27,28)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12-13H2,1H3