5-[1-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]butyl]pyridine-2-sulfonic acid

Systemtic Name: 5-[1-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]butyl]pyridine-2-sulfonic acid Openeye Name: 5-[1-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]butyl]pyridine-2-sulfonic acid CAS Name: 5-[1-[[[1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]butyl]-2-pyridinesulfonic acid IUPAC Name: 5-[1-[[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butyl]pyridine-2-sulfonic acid Traditional Name: 5-[1-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]butyl]pyridine-2-sulfonic acid Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=C(C=C1)S(=O)(=O)O)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCC(C1=CN=C(C=C1)S(=O)(=O)O)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN4O4S/c1-3-4-18(14-5-10-19(22-11-14)30(27,28)29)24-20(26)17-12-23-25(13(17)2)16-8-6-15(21)7-9-16/h5-12,18H,3-4H2,1-2H3,(H,24,26)(H,27,28,29)