N-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-8-chloranyl-2-ethanoyl-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-8-chloranyl-2-ethanoyl-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Openeye Name: 2-acetyl-N-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl]-8-chloro-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide CAS Name: 2-acetyl-N-[[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]methyl]-8-chloro-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide IUPAC Name: 2-acetyl-N-[[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]methyl]-8-chloro-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Traditional Name: 2-acetyl-N-[[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]methyl]-8-chloro-N-methyl-3,4-dihydro-1H-isoquinoline-5-sulfonamide Formula: C28H34ClN3O4S MolecularWeight: 544.10526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C=CC(=C2C1)Cl)S(=O)(=O)N(C)CC3CCN(CC3)CCC4=COC5=CC=CC=C54

Isomeric SMILES

CC(=O)N1CCC2=C(C=CC(=C2C1)Cl)S(=O)(=O)N(C)CC3CCN(CC3)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C28H34ClN3O4S/c1-20(33)32-16-12-24-25(18-32)26(29)7-8-28(24)37(34,35)30(2)17-21-9-13-31(14-10-21)15-11-22-19-36-27-6-4-3-5-23(22)27/h3-8,19,21H,9-18H2,1-2H3