methyl 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]benzoate Openeye Name: methyl 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]benzoate CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-methylamino]benzoate Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-methyl-amino]benzoic acid methyl ester Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC)Cl)C

InChI

InChI=1S/C14H16ClN3O4S/c1-9-12(13(15)17(2)16-9)23(20,21)18(3)11-7-5-10(6-8-11)14(19)22-4/h5-8H,1-4H3