6-butylsulfonyl-2-pentyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-4-ol hydrochloride

Systemtic Name: 6-butylsulfonyl-2-pentyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-4-ol hydrochloride Openeye Name: 6-butylsulfonyl-2-pentyl-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-4-ol hydrochloride CAS Name: 6-butylsulfonyl-2-pentyl-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-4-ol hydrochloride IUPAC Name: 6-butylsulfonyl-2-pentyl-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-4-ol hydrochloride Traditional Name: 2-amyl-6-butylsulfonyl-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophen-4-ol hydrochloride Formula: C30H42ClNO5S2 MolecularWeight: 596.24118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(S1)C=C(C=C2O)S(=O)(=O)CCCC)OC3=CC=C(C=C3)OCCN4CCCCC4.Cl

Isomeric SMILES

CCCCCC1=C(C2=C(S1)C=C(C=C2O)S(=O)(=O)CCCC)OC3=CC=C(C=C3)OCCN4CCCCC4.Cl

InChI

InChI=1S/C30H41NO5S2.ClH/c1-3-5-8-11-27-30(29-26(32)21-25(22-28(29)37-27)38(33,34)20-6-4-2)36-24-14-12-23(13-15-24)35-19-18-31-16-9-7-10-17-31;/h12-15,21-22,32H,3-11,16-20H2,1-2H3;1H