2-(4-bromophenyl)-6-methoxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophene 1-oxide

Systemtic Name: 2-(4-bromophenyl)-6-methoxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophene 1-oxide Openeye Name: 2-(4-bromophenyl)-6-methoxy-3-[4-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophene 1-oxide CAS Name: 2-(4-bromophenyl)-6-methoxy-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophene 1-oxide IUPAC Name: 2-(4-bromophenyl)-6-methoxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophene 1-oxide Traditional Name: 2-(4-bromophenyl)-6-methoxy-3-[4-(2-piperidinoethoxy)phenoxy]benzothiophene 1-oxide Formula: C28H28BrNO4S MolecularWeight: 554.49522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2=O)C3=CC=C(C=C3)Br)OC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2=O)C3=CC=C(C=C3)Br)OC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C28H28BrNO4S/c1-32-24-13-14-25-26(19-24)35(31)28(20-5-7-21(29)8-6-20)27(25)34-23-11-9-22(10-12-23)33-18-17-30-15-3-2-4-16-30/h5-14,19H,2-4,15-18H2,1H3