1-chloranyl-3-methyl-benzene; ethyl 2-(diethylcarbamoyl)-5-sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: 1-chloranyl-3-methyl-benzene; ethyl 2-(diethylcarbamoyl)-5-sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: 1-chloro-3-methyl-benzene; ethyl 2-(diethylcarbamoyl)-5-sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 1-chloro-3-methylbenzene; 2-[diethylamino(oxo)methyl]-5-sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: 1-chloro-3-methylbenzene; ethyl 2-(diethylcarbamoyl)-5-sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 1-chloro-3-methyl-benzene; 1-(diethylcarbamoyl)-3-sulfonyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C18H24ClN3O5S MolecularWeight: 429.91826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=C(C(=S(=O)=O)N1)C(=O)OCC.CC1=CC(=CC=C1)Cl

Isomeric SMILES

CCN(CC)C(=O)N1C=C(C(=S(=O)=O)N1)C(=O)OCC.CC1=CC(=CC=C1)Cl

InChI

InChI=1S/C11H17N3O5S.C7H7Cl/c1-4-13(5-2)11(16)14-7-8(10(15)19-6-3)9(12-14)20(17)18;1-6-3-2-4-7(8)5-6/h7,12H,4-6H2,1-3H3;2-5H,1H3