4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-nitro-benzenesulfonamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-12-16(13(2)22(21-12)14-6-4-3-5-7-14)11-20-17-9-8-15(28(19,26)27)10-18(17)23(24)25/h3-10,20H,11H2,1-2H3,(H2,19,26,27)