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

Systemtic Name: [6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [6-hexylsulfonyl-2-(4-hexylsulfonylphenyl)benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone 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)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

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

InChI

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