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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)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-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-14-9-10-18(11-15(14)2)30(27,28)23-12-20(26)29-13-19-16(3)24-25(21(19)22)17-7-5-4-6-8-17/h4-11,23H,12-13H2,1-3H3