3-(1-benzofuran-3-ylmethyl)-1-piperidin-4-yl-isoquinoline-5-sulfonamide

Systemtic Name: 3-(1-benzofuran-3-ylmethyl)-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-(benzofuran-3-ylmethyl)-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-(3-benzofuranylmethyl)-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-(1-benzofuran-3-ylmethyl)-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-(benzofuran-3-ylmethyl)-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C3C=CC=C(C3=CC(=N2)CC4=COC5=CC=CC=C54)S(=O)(=O)N

Isomeric SMILES

C1CNCCC1C2=C3C=CC=C(C3=CC(=N2)CC4=COC5=CC=CC=C54)S(=O)(=O)N

InChI

InChI=1S/C23H23N3O3S/c24-30(27,28)22-7-3-5-19-20(22)13-17(26-23(19)15-8-10-25-11-9-15)12-16-14-29-21-6-2-1-4-18(16)21/h1-7,13-15,25H,8-12H2,(H2,24,27,28)