N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O4S/c1-25(2)31(29,30)19-10-6-7-17(13-19)21(28)24-23-20(27)12-11-16-14-22-26(15-16)18-8-4-3-5-9-18/h3-10,13-15H,11-12H2,1-2H3,(H,23,27)(H,24,28)