3-(1-benzofuran-3-yl)-4-(2-oxidanylpropyl)-1-piperidin-4-yl-isoquinoline-5-sulfonamide

Systemtic Name: 3-(1-benzofuran-3-yl)-4-(2-oxidanylpropyl)-1-piperidin-4-yl-isoquinoline-5-sulfonamide Openeye Name: 3-(benzofuran-3-yl)-4-(2-hydroxypropyl)-1-(4-piperidyl)isoquinoline-5-sulfonamide CAS Name: 3-(3-benzofuranyl)-4-(2-hydroxypropyl)-1-(4-piperidinyl)-5-isoquinolinesulfonamide IUPAC Name: 3-(1-benzofuran-3-yl)-4-(2-hydroxypropyl)-1-piperidin-4-ylisoquinoline-5-sulfonamide Traditional Name: 3-(benzofuran-3-yl)-4-(2-hydroxypropyl)-1-(4-piperidyl)isoquinoline-5-sulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N=C(C2=C1C(=CC=C2)S(=O)(=O)N)C3CCNCC3)C4=COC5=CC=CC=C54)O

Isomeric SMILES

CC(CC1=C(N=C(C2=C1C(=CC=C2)S(=O)(=O)N)C3CCNCC3)C4=COC5=CC=CC=C54)O

InChI

InChI=1S/C25H27N3O4S/c1-15(29)13-19-23-18(6-4-8-22(23)33(26,30)31)24(16-9-11-27-12-10-16)28-25(19)20-14-32-21-7-3-2-5-17(20)21/h2-8,14-16,27,29H,9-13H2,1H3,(H2,26,30,31)