5-[4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]phenyl]-1H-pyrazol-3-olate

Systemtic Name: 5-[4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]phenyl]-1H-pyrazol-3-olate Openeye Name: 5-[4-[[(2S)-4-methyl-2-(p-tolylsulfonylamino)pentanoyl]amino]phenyl]-1H-pyrazol-3-olate CAS Name: 5-[4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]amino]phenyl]-1H-pyrazol-3-olate IUPAC Name: 5-[4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]phenyl]-1H-pyrazol-3-olate Traditional Name: 5-[4-[[(2S)-4-methyl-2-(tosylamino)pentanoyl]amino]phenyl]-1H-pyrazol-3-olate Formula: C22H25N4O4S- MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC=C(C=C2)C3=CC(=NN3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC2=CC=C(C=C2)C3=CC(=NN3)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-14(2)12-20(26-31(29,30)18-10-4-15(3)5-11-18)22(28)23-17-8-6-16(7-9-17)19-13-21(27)25-24-19/h4-11,13-14,20,26H,12H2,1-3H3,(H,23,28)(H2,24,25,27)/p-1/t20-/m0/s1