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

Systemtic Name: 5-chloranyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide Openeye Name: 5-chloro-2-nitro-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 5-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide Traditional Name: 5-chloro-2-nitro-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C23H20ClN3O5S MolecularWeight: 485.94

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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=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O5S/c1-15-2-7-20(8-3-15)33(31,32)26-11-10-16-4-6-19(12-17(16)14-26)25-23(28)21-13-18(24)5-9-22(21)27(29)30/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)