(1-phenylpyrazol-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-16-7-9-19(10-8-16)28(25,26)22-12-11-20(24)27-15-17-13-21-23(14-17)18-5-3-2-4-6-18/h2-10,13-14,22H,11-12,15H2,1H3