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

Systemtic Name: 3-nitro-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5S/c26-22(17-5-4-6-20(14-17)25(27)28)23-19-10-9-16-11-12-24(15-18(16)13-19)31(29,30)21-7-2-1-3-8-21/h1-10,13-14H,11-12,15H2,(H,23,26)