4-isoquinolin-5-ylsulfonyl-3-nitro-benzamide

Systemtic Name: 4-isoquinolin-5-ylsulfonyl-3-nitro-benzamide Openeye Name: 4-(5-isoquinolylsulfonyl)-3-nitro-benzamide CAS Name: 4-(5-isoquinolinylsulfonyl)-3-nitrobenzamide IUPAC Name: 4-isoquinolin-5-ylsulfonyl-3-nitrobenzamide Traditional Name: 4-(5-isoquinolylsulfonyl)-3-nitro-benzamide Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c17-16(20)10-4-5-15(13(8-10)19(21)22)25(23,24)14-3-1-2-11-9-18-7-6-12(11)14/h1-9H,(H2,17,20)