4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-nitro-benzenesulfonamide Formula: C19H18FN7O4S MolecularWeight: 459.454123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C#N)N)F

InChI

InChI=1S/C19H18FN7O4S/c20-12-3-5-13(6-4-12)26-19(22)15(11-21)16(25-26)2-1-9-24-17-8-7-14(32(23,30)31)10-18(17)27(28)29/h3-8,10,24H,1-2,9,22H2,(H2,23,30,31)