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

Systemtic Name: 2-chloranyl-5-nitro-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-chloro-5-nitro-benzamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chloro-5-nitro-benzamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O5S/c23-21-9-8-18(26(28)29)13-20(21)22(27)24-17-7-6-15-10-11-25(14-16(15)12-17)32(30,31)19-4-2-1-3-5-19/h1-9,12-13H,10-11,14H2,(H,24,27)