N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]piazthiole-4-sulfonamide Formula: C15H15N5O6S3 MolecularWeight: 457.5045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC=CC3=NSN=C32)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNS(=O)(=O)C2=CC=CC3=NSN=C32)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O6S3/c1-28(23,24)10-5-6-11(13(9-10)20(21)22)16-7-8-17-29(25,26)14-4-2-3-12-15(14)19-27-18-12/h2-6,9,16-17H,7-8H2,1H3