5-nitro-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-2-furamide Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O6S/c24-20(18-8-9-19(29-18)23(25)26)21-16-7-6-14-10-11-22(13-15(14)12-16)30(27,28)17-4-2-1-3-5-17/h1-9,12H,10-11,13H2,(H,21,24)