N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-4-bromanyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-4-bromanyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-4-bromo-isoquinoline-5-sulfonamide CAS Name: N-[1-[2-(3-benzofuranyl)ethyl]-4-piperidinyl]-4-bromo-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-4-bromoisoquinoline-5-sulfonamide Traditional Name: N-[1-[2-(benzofuran-3-yl)ethyl]-4-piperidyl]-4-bromo-isoquinoline-5-sulfonamide Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br)CCC4=COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=CN=CC(=C32)Br)CCC4=COC5=CC=CC=C54

InChI

InChI=1S/C24H24BrN3O3S/c25-21-15-26-14-17-4-3-7-23(24(17)21)32(29,30)27-19-9-12-28(13-10-19)11-8-18-16-31-22-6-2-1-5-20(18)22/h1-7,14-16,19,27H,8-13H2