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

Systemtic Name: N-[1-[1-(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-[1-(benzofuran-3-yl)ethyl]-4-piperidyl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide CAS Name: 2-acetyl-N-[1-[1-(3-benzofuranyl)ethyl]-4-piperidinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide IUPAC Name: 2-acetyl-N-[1-[1-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Traditional Name: 2-acetyl-N-[1-[1-(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(C1=COC2=CC=CC=C21)N3CCC(CC3)N(C)S(=O)(=O)C4=CC=CC5=C4CCN(C5)C(=O)C

Isomeric SMILES

CC(C1=COC2=CC=CC=C21)N3CCC(CC3)N(C)S(=O)(=O)C4=CC=CC5=C4CCN(C5)C(=O)C

InChI

InChI=1S/C27H33N3O4S/c1-19(25-18-34-26-9-5-4-8-24(25)26)29-14-11-22(12-15-29)28(3)35(32,33)27-10-6-7-21-17-30(20(2)31)16-13-23(21)27/h4-10,18-19,22H,11-17H2,1-3H3