N-(4-chloranyl-2-pyridin-4-ylcarbonyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: N-(4-chloranyl-2-pyridin-4-ylcarbonyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: N-[4-chloro-2-[oxo(pyridin-4-yl)methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: N-(4-chloro-2-isonicotinoyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H18ClN3O3S/c22-17-2-4-20(19(12-17)21(26)15-6-8-23-9-7-15)25-29(27,28)18-3-1-14-5-10-24-13-16(14)11-18/h1-4,6-9,11-12,24-25H,5,10,13H2