N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-ethoxy-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-ethoxy-isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-1-ethoxy-isoquinoline-5-sulfonamide CAS Name: N-[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]-1-ethoxy-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-ethoxyisoquinoline-5-sulfonamide Traditional Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-1-ethoxy-isoquinoline-5-sulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC2=C1C=CC=C2S(=O)(=O)NC3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

CCOC1=NC=CC2=C1C=CC=C2S(=O)(=O)NC3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

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