3-[(3-chloranyl-5-methyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(3-chloranyl-5-methyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-chloro-5-methyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-chloro-5-methyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-chloro-5-methyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3-chloro-5-methyl-1H-pyrazol-4-yl)sulfonyl-methyl-amino]-5-phenyl-2-thenoic acid Formula: C16H14ClN3O4S2 MolecularWeight: 411.88306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)Cl)S(=O)(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)Cl)S(=O)(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H14ClN3O4S2/c1-9-14(15(17)19-18-9)26(23,24)20(2)11-8-12(25-13(11)16(21)22)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,18,19)(H,21,22)