[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C23H26ClFN2O5S MolecularWeight: 496.979343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C23H26ClFN2O5S/c1-16-6-3-4-13-27(16)33(30,31)18-11-9-17(10-12-18)23(29)32-15-22(28)26(2)14-19-20(24)7-5-8-21(19)25/h5,7-12,16H,3-4,6,13-15H2,1-2H3