[2-(4-fluorophenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [2-(4-fluorophenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [2-(4-fluorophenyl)-6-phosphonato-benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [2-(4-fluorophenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [2-(4-fluorophenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [2-(4-fluorophenyl)-6-phosphonato-benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C28H25FNO5PS-2 MolecularWeight: 537.538964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)P(=O)([O-])[O-])C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)P(=O)([O-])[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FNO5PS/c29-21-8-4-20(5-9-21)28-26(24-13-12-23(36(32,33)34)18-25(24)37-28)27(31)19-6-10-22(11-7-19)35-17-16-30-14-2-1-3-15-30/h4-13,18H,1-3,14-17H2,(H2,32,33,34)/p-2