[4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-6-sulfinatooxy-1-benzothiophen-2-yl]phenyl] sulfite

Systemtic Name: [4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-6-sulfinatooxy-1-benzothiophen-2-yl]phenyl] sulfite Openeye Name: [4-[3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-6-sulfinatooxy-benzothiophen-2-yl]phenyl] sulfite CAS Name: [4-[3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-6-sulfinatooxy-1-benzothiophen-2-yl]phenyl] sulfite IUPAC Name: [4-[3-[4-(2-piperidin-1-ylethoxy)benzoyl]-6-sulfinatooxy-1-benzothiophen-2-yl]phenyl] sulfite Traditional Name: [4-[3-[4-(2-piperidinoethoxy)benzoyl]-6-sulfito-benzothiophen-2-yl]phenyl] sulfite Formula: C28H25NO8S3-2 MolecularWeight: 599.695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OS(=O)[O-])C5=CC=C(C=C5)OS(=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)OS(=O)[O-])C5=CC=C(C=C5)OS(=O)[O-]

InChI

InChI=1S/C28H27NO8S3/c30-27(19-4-8-21(9-5-19)35-17-16-29-14-2-1-3-15-29)26-24-13-12-23(37-40(33)34)18-25(24)38-28(26)20-6-10-22(11-7-20)36-39(31)32/h4-13,18H,1-3,14-17H2,(H,31,32)(H,33,34)/p-2