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

Systemtic Name: 6-butylsulfonyl-2-cyclopentyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-3-ol hydrochloride Openeye Name: 6-butylsulfonyl-2-cyclopentyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenoxy]benzothiophen-3-ol hydrochloride CAS Name: 6-butylsulfonyl-2-cyclopentyl-4-[2-[2-(1-pyrrolidinyl)ethoxy]phenoxy]-1-benzothiophen-3-ol hydrochloride IUPAC Name: 6-butylsulfonyl-2-cyclopentyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-3-ol hydrochloride Traditional Name: 6-butylsulfonyl-2-cyclopentyl-4-[2-(2-pyrrolidinoethoxy)phenoxy]benzothiophen-3-ol hydrochloride Formula: C29H38ClNO5S2 MolecularWeight: 580.19872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC2=C(C(=C1)OC3=CC=CC=C3OCCN4CCCC4)C(=C(S2)C5CCCC5)O.Cl

Isomeric SMILES

CCCCS(=O)(=O)C1=CC2=C(C(=C1)OC3=CC=CC=C3OCCN4CCCC4)C(=C(S2)C5CCCC5)O.Cl

InChI

InChI=1S/C29H37NO5S2.ClH/c1-2-3-18-37(32,33)22-19-25(27-26(20-22)36-29(28(27)31)21-10-4-5-11-21)35-24-13-7-6-12-23(24)34-17-16-30-14-8-9-15-30;/h6-7,12-13,19-21,31H,2-5,8-11,14-18H2,1H3;1H