N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-(2-fluorophenyl)benzenesulfonamide

Systemtic Name: N-[3-(4-azanyl-3-nitro-phenyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-4-(2-fluorophenyl)benzenesulfonamide Openeye Name: N-[1-[(4-amino-3-nitro-phenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-4-(2-fluorophenyl)benzenesulfonamide CAS Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-4-(2-fluorophenyl)benzenesulfonamide IUPAC Name: N-[3-(4-amino-3-nitrophenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-(2-fluorophenyl)benzenesulfonamide Traditional Name: N-[1-(4-amino-3-nitro-benzyl)-2-keto-2-(4-methylpiperidino)ethyl]-4-(2-fluorophenyl)benzenesulfonamide Formula: C27H29FN4O5S MolecularWeight: 540.606363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4F

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)N)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4F

InChI

InChI=1S/C27H29FN4O5S/c1-18-12-14-31(15-13-18)27(33)25(16-19-6-11-24(29)26(17-19)32(34)35)30-38(36,37)21-9-7-20(8-10-21)22-4-2-3-5-23(22)28/h2-11,17-18,25,30H,12-16,29H2,1H3