4-isoquinolin-5-ylsulfonyl-2-nitro-aniline

Systemtic Name: 4-isoquinolin-5-ylsulfonyl-2-nitro-aniline Openeye Name: 4-(5-isoquinolylsulfonyl)-2-nitro-aniline CAS Name: 4-(5-isoquinolinylsulfonyl)-2-nitroaniline IUPAC Name: 4-isoquinolin-5-ylsulfonyl-2-nitroaniline Traditional Name: [4-(5-isoquinolylsulfonyl)-2-nitro-phenyl]amine Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4S/c16-13-5-4-11(8-14(13)18(19)20)23(21,22)15-3-1-2-10-9-17-7-6-12(10)15/h1-9H,16H2