1-[2-(2-chloranyl-4-oxidanyl-phenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-6-yl]ethanone

Systemtic Name: 1-[2-(2-chloranyl-4-oxidanyl-phenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-6-yl]ethanone Openeye Name: 1-[2-(2-chloro-4-hydroxy-phenyl)-3-[4-[3-(1-piperidyl)propoxy]benzoyl]benzothiophen-6-yl]ethanone CAS Name: 1-[2-(2-chloro-4-hydroxyphenyl)-3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-6-yl]ethanone IUPAC Name: 1-[2-(2-chloro-4-hydroxyphenyl)-3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1-benzothiophen-6-yl]ethanone Traditional Name: 1-[2-(2-chloro-4-hydroxy-phenyl)-3-[4-(3-piperidinopropoxy)benzoyl]benzothiophen-6-yl]ethanone Formula: C31H30ClNO4S MolecularWeight: 548.0922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=C(C=C(C=C3)O)Cl)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=C(C=C(C=C3)O)Cl)C(=O)C4=CC=C(C=C4)OCCCN5CCCCC5

InChI

InChI=1S/C31H30ClNO4S/c1-20(34)22-8-12-26-28(18-22)38-31(25-13-9-23(35)19-27(25)32)29(26)30(36)21-6-10-24(11-7-21)37-17-5-16-33-14-3-2-4-15-33/h6-13,18-19,35H,2-5,14-17H2,1H3