4-methoxy-9-[1-(phenylmethoxymethyl)benzimidazol-2-yl]sulfinyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

Systemtic Name: 4-methoxy-9-[1-(phenylmethoxymethyl)benzimidazol-2-yl]sulfinyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Openeye Name: 9-[1-(benzyloxymethyl)benzimidazol-2-yl]sulfinyl-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine CAS Name: 4-methoxy-9-[[1-(phenylmethoxymethyl)-2-benzimidazolyl]sulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine IUPAC Name: 4-methoxy-9-[1-(phenylmethoxymethyl)benzimidazol-2-yl]sulfinyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Traditional Name: 9-[1-(benzoxymethyl)benzimidazol-2-yl]sulfinyl-4-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCCCC(C2=NC=C1)S(=O)C3=NC4=CC=CC=C4N3COCC5=CC=CC=C5

Isomeric SMILES

COC1=C2CCCCC(C2=NC=C1)S(=O)C3=NC4=CC=CC=C4N3COCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c1-31-23-15-16-27-25-20(23)11-5-8-14-24(25)33(30)26-28-21-12-6-7-13-22(21)29(26)18-32-17-19-9-3-2-4-10-19/h2-4,6-7,9-10,12-13,15-16,24H,5,8,11,14,17-18H2,1H3