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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-furan-2-carboxamide Openeye Name: 5-nitro-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrofuran-2-carboxamide Traditional Name: 5-nitro-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-furamide Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-14-2-6-18(7-3-14)31(28,29)23-11-10-15-4-5-17(12-16(15)13-23)22-21(25)19-8-9-20(30-19)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,22,25)