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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28FN3O6S/c1-37-26-8-3-2-7-25(26)30(38(35,36)24-6-4-5-23(19-24)31(33)34)18-17-29-15-13-21(14-16-29)27(32)20-9-11-22(28)12-10-20/h2-12,19,21H,13-18H2,1H3