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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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

InChI

InChI=1S/C23H21N3O5S/c1-16-2-10-22(11-3-16)32(30,31)25-13-12-17-4-7-20(14-19(17)15-25)24-23(27)18-5-8-21(9-6-18)26(28)29/h2-11,14H,12-13,15H2,1H3,(H,24,27)