N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-2-ethanoyl-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-2-ethanoyl-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Openeye Name: 2-acetyl-N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide CAS Name: 2-acetyl-N-[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide IUPAC Name: 2-acetyl-N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Traditional Name: 2-acetyl-N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=CC=C2S(=O)(=O)N(C)C3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=CC=C2S(=O)(=O)N(C)C3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C27H33N3O4S/c1-20(31)30-17-13-25-21(18-30)6-5-9-27(25)35(32,33)28(2)23-11-15-29(16-12-23)14-10-22-19-34-26-8-4-3-7-24(22)26/h3-9,19,23H,10-18H2,1-2H3