(4-pyrazol-1-ylphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H21N3O4S/c1-16-4-10-19(11-5-16)28(25,26)22(2)14-20(24)27-15-17-6-8-18(9-7-17)23-13-3-12-21-23/h3-13H,14-15H2,1-2H3