[2-(4-hydroxyphenyl)-3-(4-piperidin-1-yloxyphenyl)carbonyl-1-benzothiophen-6-yl] butane-1-sulfonate

Systemtic Name: [2-(4-hydroxyphenyl)-3-(4-piperidin-1-yloxyphenyl)carbonyl-1-benzothiophen-6-yl] butane-1-sulfonate Openeye Name: [2-(4-hydroxyphenyl)-3-[4-(1-piperidyloxy)benzoyl]benzothiophen-6-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(4-hydroxyphenyl)-3-(4-piperidin-1-yloxybenzoyl)-1-benzothiophen-6-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-(4-hydroxyphenyl)-3-(4-piperidinooxybenzoyl)benzothiophen-6-yl] ester Formula: C30H31NO6S2 MolecularWeight: 565.70024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)ON5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)ON5CCCCC5

InChI

InChI=1S/C30H31NO6S2/c1-2-3-19-39(34,35)37-25-15-16-26-27(20-25)38-30(22-7-11-23(32)12-8-22)28(26)29(33)21-9-13-24(14-10-21)36-31-17-5-4-6-18-31/h7-16,20,32H,2-6,17-19H2,1H3