1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[[3-(methylsulfonylamino)phenyl]methyl]urea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[[3-(methylsulfonylamino)phenyl]methyl]urea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(methanesulfonamido)benzyl]urea Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCC3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H25N5O3S/c1-15-20(16(2)26(24-15)19-10-5-4-6-11-19)14-23-21(27)22-13-17-8-7-9-18(12-17)25-30(3,28)29/h4-12,25H,13-14H2,1-3H3,(H2,22,23,27)