4-chloranyl-2-fluoranyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-2-fluoranyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide Openeye Name: 4-chloro-2-fluoro-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]benzenesulfonamide CAS Name: 4-chloro-2-fluoro-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 4-chloro-2-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide Traditional Name: 4-chloro-2-fluoro-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]benzenesulfonamide Formula: C18H20ClFN2O4S2 MolecularWeight: 446.943803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C18H20ClFN2O4S2/c1-13-3-2-10-22(12-13)28(25,26)16-7-5-15(6-8-16)21-27(23,24)18-9-4-14(19)11-17(18)20/h4-9,11,13,21H,2-3,10,12H2,1H3/t13-/m0/s1