(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-14-8-10-17(11-9-14)29(26,27)22-12-19(25)28-13-18-15(2)23-24(20(18)21)16-6-4-3-5-7-16/h3-11,22H,12-13H2,1-2H3