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

Systemtic Name: 6-butylsulfonyl-2-cyclopentyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-4-ol hydrochloride Openeye Name: 6-butylsulfonyl-2-cyclopentyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzothiophen-4-ol hydrochloride CAS Name: 6-butylsulfonyl-2-cyclopentyl-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenoxy]-1-benzothiophen-4-ol hydrochloride IUPAC Name: 6-butylsulfonyl-2-cyclopentyl-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-4-ol hydrochloride Traditional Name: 6-butylsulfonyl-2-cyclopentyl-3-[4-(2-pyrrolidinoethoxy)phenoxy]benzothiophen-4-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)O)C(=C(S2)C3CCCC3)OC4=CC=C(C=C4)OCCN5CCCC5.Cl

Isomeric SMILES

CCCCS(=O)(=O)C1=CC2=C(C(=C1)O)C(=C(S2)C3CCCC3)OC4=CC=C(C=C4)OCCN5CCCC5.Cl

InChI

InChI=1S/C29H37NO5S2.ClH/c1-2-3-18-37(32,33)24-19-25(31)27-26(20-24)36-29(21-8-4-5-9-21)28(27)35-23-12-10-22(11-13-23)34-17-16-30-14-6-7-15-30;/h10-13,19-21,31H,2-9,14-18H2,1H3;1H