2-chloranyl-5-[(4-cyanophenyl)-nitramido-carbamoyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-5-[(4-cyanophenyl)-nitramido-carbamoyl]benzenesulfonamide Openeye Name: 2-chloro-5-[(4-cyanophenyl)-nitramido-carbamoyl]benzenesulfonamide CAS Name: 2-chloro-5-[(4-cyano-N-nitramidoanilino)-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-5-[(4-cyanophenyl)-nitramidocarbamoyl]benzenesulfonamide Traditional Name: 2-chloro-5-[(4-cyanophenyl)-nitramido-carbamoyl]benzenesulfonamide Formula: C14H10ClN5O5S MolecularWeight: 395.7777

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)N[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)N[N+](=O)[O-]

InChI

InChI=1S/C14H10ClN5O5S/c15-12-6-3-10(7-13(12)26(17,24)25)14(21)19(18-20(22)23)11-4-1-9(8-16)2-5-11/h1-7,18H,(H2,17,24,25)