N-[2-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[2-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[2-[oxo-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]hydrazo]methyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[2-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N5O4S2/c29-21(13-12-17-15-24-28(16-17)18-7-2-1-3-8-18)25-26-23(30)19-9-4-5-10-20(19)27-34(31,32)22-11-6-14-33-22/h1-11,14-16,27H,12-13H2,(H,25,29)(H,26,30)