N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-4-nitro-benzamide Formula: C23H20FN3O5S MolecularWeight: 469.485403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)F)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)F)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H20FN3O5S/c1-15-12-17(3-9-22(15)27(29)30)23(28)25-20-6-2-16-10-11-26(14-18(16)13-20)33(31,32)21-7-4-19(24)5-8-21/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)