(1-phenylpyrazol-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN(N=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN(N=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-15(2)20(24-30(27,28)19-10-8-17(22)9-11-19)21(26)29-14-16-12-23-25(13-16)18-6-4-3-5-7-18/h3-13,15,20,24H,14H2,1-2H3/t20-/m0/s1