N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-nitro-furan-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

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