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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC2=CC=CC=C21)S(=O)(=O)NC3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

CCOC1=NC(=CC2=CC=CC=C21)S(=O)(=O)NC3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O4S/c1-2-32-26-23-9-4-3-7-19(23)17-25(27-26)34(30,31)28-21-12-15-29(16-13-21)14-11-20-18-33-24-10-6-5-8-22(20)24/h3-10,17-18,21,28H,2,11-16H2,1H3