3-[[butyl-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]carbonyl-amino]methyl]benzoic acid

Systemtic Name: 3-[[butyl-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]carbonyl-amino]methyl]benzoic acid Openeye Name: 3-[[butyl-[4-(3,5-dimethylpyrazol-1-yl)sulfonylbenzoyl]amino]methyl]benzoic acid CAS Name: 3-[[butyl-[[4-[(3,5-dimethyl-1-pyrazolyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[butyl-[4-(3,5-dimethylpyrazol-1-yl)sulfonylbenzoyl]amino]methyl]benzoic acid Traditional Name: 3-[[butyl-[4-(3,5-dimethylpyrazol-1-yl)sulfonylbenzoyl]amino]methyl]benzoic acid Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3C(=CC(=N3)C)C

Isomeric SMILES

CCCCN(CC1=CC=CC(=C1)C(=O)O)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3C(=CC(=N3)C)C

InChI

InChI=1S/C24H27N3O5S/c1-4-5-13-26(16-19-7-6-8-21(15-19)24(29)30)23(28)20-9-11-22(12-10-20)33(31,32)27-18(3)14-17(2)25-27/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,29,30)