[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3-nitrophenyl)sulfonyl-azanide

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3-nitrophenyl)sulfonyl-azanide Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3-nitrophenyl)sulfonyl-azanide CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3-nitrophenyl)sulfonylazanide IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3-nitrophenyl)sulfonylazanide Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3-nitrophenyl)sulfonyl-azanide Formula: C21H18N3O6S2- MolecularWeight: 472.51412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N3O6S2/c25-24(26)19-6-3-7-21(14-19)31(27,28)22-18-8-10-20(11-9-18)32(29,30)23-13-12-16-4-1-2-5-17(16)15-23/h1-11,14H,12-13,15H2/q-1