3-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C21H24N4O3S/c1-16-7-8-17(2)20(13-16)29(27,28)23-11-9-21(26)24-19-6-3-5-18(14-19)15-25-12-4-10-22-25/h3-8,10,12-14,23H,9,11,15H2,1-2H3,(H,24,26)