N-[2-[1-[2-(1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]ethyl]isoquinoline-6-sulfonamide

Systemtic Name: N-[2-[1-[2-(1-benzofuran-3-yl)ethyl]-4-oxidanyl-piperidin-4-yl]ethyl]isoquinoline-6-sulfonamide Openeye Name: N-[2-[1-[2-(benzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]ethyl]isoquinoline-6-sulfonamide CAS Name: N-[2-[1-[2-(3-benzofuranyl)ethyl]-4-hydroxy-4-piperidinyl]ethyl]-6-isoquinolinesulfonamide IUPAC Name: N-[2-[1-[2-(1-benzofuran-3-yl)ethyl]-4-hydroxypiperidin-4-yl]ethyl]isoquinoline-6-sulfonamide Traditional Name: N-[2-[1-[2-(benzofuran-3-yl)ethyl]-4-hydroxy-4-piperidyl]ethyl]isoquinoline-6-sulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCNS(=O)(=O)C2=CC3=C(C=C2)C=NC=C3)O)CCC4=COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1(CCNS(=O)(=O)C2=CC3=C(C=C2)C=NC=C3)O)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O4S/c30-26(9-13-28-34(31,32)23-6-5-21-18-27-12-7-20(21)17-23)10-15-29(16-11-26)14-8-22-19-33-25-4-2-1-3-24(22)25/h1-7,12,17-19,28,30H,8-11,13-16H2