3-(fluoranylmethyl)-N-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: 3-(fluoranylmethyl)-N-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: 3-(fluoromethyl)-N-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: 3-(fluoromethyl)-N-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: 3-(fluoromethyl)-N-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: 3-(fluoromethyl)-N-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CF

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CF

InChI

InChI=1S/C16H16FN3O4S/c17-9-14-6-11-4-5-16(7-12(11)10-18-14)25(23,24)19-13-2-1-3-15(8-13)20(21)22/h1-5,7-8,14,18-19H,6,9-10H2