N-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-1-phenyl-propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-1-phenyl-propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(4-fluorobenzoyl)-1-piperidyl]-1-phenyl-propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-1-phenylpropyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-phenylpropyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(4-fluorobenzoyl)piperidino]-1-phenyl-propyl]-2-nitro-benzenesulfonamide Formula: C27H28FN3O5S MolecularWeight: 525.591723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCC(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCC(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H28FN3O5S/c28-23-12-10-21(11-13-23)27(32)22-14-17-30(18-15-22)19-16-24(20-6-2-1-3-7-20)29-37(35,36)26-9-5-4-8-25(26)31(33)34/h1-13,22,24,29H,14-19H2