4-chloranyl-3-isoquinolin-5-ylazanidylsulfonyl-benzoate

Systemtic Name: 4-chloranyl-3-isoquinolin-5-ylazanidylsulfonyl-benzoate Openeye Name: 4-chloro-3-(5-isoquinolylazanidylsulfonyl)benzoate CAS Name: 4-chloro-3-(5-isoquinolinylazanidylsulfonyl)benzoate IUPAC Name: 4-chloro-3-isoquinolin-5-ylazanidylsulfonylbenzoate Traditional Name: 4-chloro-3-(5-isoquinolylazanidylsulfonyl)benzoate Formula: C16H9ClN2O4S-2 MolecularWeight: 360.77166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN2O4S/c17-13-5-4-10(16(20)21)8-15(13)24(22,23)19-14-3-1-2-11-9-18-7-6-12(11)14/h1-9H,(H,20,21)/q-1/p-1