N-(phenylmethyl)-3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[[1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)propyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O4S/c1-16-21(17(2)28(3)27-16)12-13-22(29)25-26-23(30)19-10-7-11-20(14-19)33(31,32)24-15-18-8-5-4-6-9-18/h4-11,14,24H,12-13,15H2,1-3H3,(H,25,29)(H,26,30)