N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)isoquinoline-5-sulfonamide Openeye Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[5-bromo-2-[oxo(1-piperidinyl)methyl]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]isoquinoline-5-sulfonamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H20BrN3O3S/c22-16-7-8-18(21(26)25-11-2-1-3-12-25)19(13-16)24-29(27,28)20-6-4-5-15-14-23-10-9-17(15)20/h4-10,13-14,24H,1-3,11-12H2