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

Systemtic Name: (2-phenyl-6-phosphonato-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: (2-phenyl-6-phosphonato-benzothiophen-3-yl)-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: (2-phenyl-6-phosphonato-1-benzothiophen-3-yl)-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: (2-phenyl-6-phosphonato-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: (2-phenyl-6-phosphonato-benzothiophen-3-yl)-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C28H26NO5PS-2 MolecularWeight: 519.548501

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28NO5PS/c30-27(20-9-11-22(12-10-20)34-18-17-29-15-5-2-6-16-29)26-24-14-13-23(35(31,32)33)19-25(24)36-28(26)21-7-3-1-4-8-21/h1,3-4,7-14,19H,2,5-6,15-18H2,(H2,31,32,33)/p-2