(1-phenylpyrazol-4-yl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-16(25)18-8-10-20(11-9-18)30(27,28)23(2)14-21(26)29-15-17-12-22-24(13-17)19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3