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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)ON5CCCCC5

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)ON5CCCCC5

InChI

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