(3,5-dimethylpiperidin-1-yl)-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone Openeye Name: (3,5-dimethyl-1-piperidyl)-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone IUPAC Name: (3,5-dimethylpiperidin-1-yl)-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone Traditional Name: (3,5-dimethylpiperidino)-[4-(3-fluorobenzyl)sulfonyl-3-nitro-phenyl]methanone Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC(=CC=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H23FN2O5S/c1-14-8-15(2)12-23(11-14)21(25)17-6-7-20(19(10-17)24(26)27)30(28,29)13-16-4-3-5-18(22)9-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3