(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]butanamide Openeye Name: (2S)-3-methyl-2-(p-tolylsulfonylamino)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]butanamide Traditional Name: (2S)-3-methyl-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]-2-(tosylamino)butyramide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=CC(=NC=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC(=NC=C2)N3C=CC=N3

InChI

InChI=1S/C21H25N5O3S/c1-15(2)20(25-30(28,29)18-7-5-16(3)6-8-18)21(27)23-14-17-9-11-22-19(13-17)26-12-4-10-24-26/h4-13,15,20,25H,14H2,1-3H3,(H,23,27)/t20-/m0/s1