4-chloranyl-N-(4-fluoranyl-3-nitro-phenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(4-fluoranyl-3-nitro-phenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: 4-chloro-N-(4-fluoro-3-nitro-phenyl)-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-chloro-N-(4-fluoro-3-nitrophenyl)-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-chloro-N-(4-fluoro-3-nitrophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: 4-chloro-N-(4-fluoro-3-nitro-phenyl)-3-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C19H19ClFN3O5S MolecularWeight: 455.887663

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClFN3O5S/c1-12-3-2-8-23(11-12)30(28,29)18-9-13(4-6-15(18)20)19(25)22-14-5-7-16(21)17(10-14)24(26)27/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,25)/t12-/m0/s1