N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

Systemtic Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide Openeye Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide CAS Name: N-[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide IUPAC Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide Traditional Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCC2=COC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4CCNC5

Isomeric SMILES

CN(C1CCN(CC1)CCC2=COC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=C4CCNC5

InChI

InChI=1S/C25H31N3O3S/c1-27(32(29,30)25-8-4-5-19-17-26-13-9-23(19)25)21-11-15-28(16-12-21)14-10-20-18-31-24-7-3-2-6-22(20)24/h2-8,18,21,26H,9-17H2,1H3