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

Systemtic Name: 4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C20H21N7O4S MolecularWeight: 455.49024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O4S/c1-23-32(30,31)15-9-10-18(19(12-15)27(28)29)24-11-5-8-17-16(13-21)20(22)26(25-17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,23-24H,5,8,11,22H2,1H3