N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-2-fluoro-benzamide CAS Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-2-fluorobenzamide IUPAC Name: N-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide Traditional Name: N-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-2-fluoro-benzamide Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O5S/c1-13-11-16(24(26)27)12-19(14(13)2)30(28,29)23-9-7-15(8-10-23)22-20(25)17-5-3-4-6-18(17)21/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,25)