[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3,4-dimethyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-(4-methylpiperidino)sulfonyl-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C24H29FN2O5S MolecularWeight: 476.560863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C24H29FN2O5S/c1-16-8-10-27(11-9-16)33(30,31)22-13-20(12-17(2)18(22)3)24(29)32-15-23(28)26-14-19-4-6-21(25)7-5-19/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,26,28)