2-ethyl-4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-N-(2-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 2-ethyl-4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-N-(2-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 2-ethyl-4-[4-(4-fluorobenzoyl)-1-piperidyl]-N-(2-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 2-ethyl-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 2-ethyl-4-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 2-ethyl-4-[4-(4-fluorobenzoyl)piperidino]-N-(2-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C27H28FN3O6S MolecularWeight: 541.591123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCC1=C(C=CC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H28FN3O6S/c1-3-21-25(38(35,36)29-22-6-4-5-7-24(22)37-2)13-12-23(26(21)31(33)34)30-16-14-19(15-17-30)27(32)18-8-10-20(28)11-9-18/h4-13,19,29H,3,14-17H2,1-2H3