N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4S/c1-11-7-14(24(25)26)8-17(12(11)2)29(27,28)22-15-5-3-4-6-16(15)23-18(20)13(9-19)10-21-23/h3-8,10,22H,20H2,1-2H3