N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: 2-(4-keto-1,2,3-benzotriazin-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C18H18N6O6S MolecularWeight: 446.43712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6S/c1-31(29,30)12-6-7-15(16(10-12)24(27)28)19-8-9-20-17(25)11-23-18(26)13-4-2-3-5-14(13)21-22-23/h2-7,10,19H,8-9,11H2,1H3,(H,20,25)