2-[6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-4-(2-piperidin-1-ylethoxy)benzaldehyde

Systemtic Name: 2-[6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-4-(2-piperidin-1-ylethoxy)benzaldehyde Openeye Name: 2-[6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)benzothiophen-3-yl]-4-[2-(1-piperidyl)ethoxy]benzaldehyde CAS Name: 2-[6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-4-[2-(1-piperidinyl)ethoxy]benzaldehyde IUPAC Name: 2-[6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-4-(2-piperidin-1-ylethoxy)benzaldehyde Traditional Name: 2-[6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)benzothiophen-3-yl]-4-(2-piperidinoethoxy)benzaldehyde Formula: C40H51NO6S3 MolecularWeight: 738.03104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)S(=O)(=O)CCCCCC)C4=C(C=CC(=C4)OCCN5CCCCC5)C=O

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)S(=O)(=O)CCCCCC)C4=C(C=CC(=C4)OCCN5CCCCC5)C=O

InChI

InChI=1S/C40H51NO6S3/c1-3-5-7-12-26-49(43,44)34-18-15-31(16-19-34)40-39(36-21-20-35(29-38(36)48-40)50(45,46)27-13-8-6-4-2)37-28-33(17-14-32(37)30-42)47-25-24-41-22-10-9-11-23-41/h14-21,28-30H,3-13,22-27H2,1-2H3