[4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-(3-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5S/c23-18-6-3-7-19(13-18)31(29,30)21-9-8-16(12-20(21)25(27)28)22(26)24-11-10-15-4-1-2-5-17(15)14-24/h1-9,12-13H,10-11,14H2