5-[bis[(3-chloranyl-2-methyl-phenyl)sulfonyl]amino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[bis[(3-chloranyl-2-methyl-phenyl)sulfonyl]amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[bis[(3-chloro-2-methyl-phenyl)sulfonyl]amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[bis[(3-chloro-2-methylphenyl)sulfonyl]amino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[bis[(3-chloro-2-methylphenyl)sulfonyl]amino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[bis[(3-chloro-2-methyl-phenyl)sulfonyl]amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C19H17Cl2N3O6S2 MolecularWeight: 518.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N(C2=C(C=NN2C)C(=O)O)S(=O)(=O)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N(C2=C(C=NN2C)C(=O)O)S(=O)(=O)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C19H17Cl2N3O6S2/c1-11-14(20)6-4-8-16(11)31(27,28)24(18-13(19(25)26)10-22-23(18)3)32(29,30)17-9-5-7-15(21)12(17)2/h4-10H,1-3H3,(H,25,26)