4-chloranyl-5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 4-chloranyl-5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2-pyrrolidin-1-yl-benzoic acid Openeye Name: 4-chloro-5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2-pyrrolidin-1-yl-benzoic acid CAS Name: 4-chloro-5-[(3,5-dimethyl-1-pyrazolyl)sulfonyl]-2-(1-pyrrolidinyl)benzoic acid IUPAC Name: 4-chloro-5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2-pyrrolidin-1-ylbenzoic acid Traditional Name: 4-chloro-5-(3,5-dimethylpyrazol-1-yl)sulfonyl-2-pyrrolidino-benzoic acid Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)N3CCCC3)Cl)C

Isomeric SMILES

CC1=CC(=NN1S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)N3CCCC3)Cl)C

InChI

InChI=1S/C16H18ClN3O4S/c1-10-7-11(2)20(18-10)25(23,24)15-8-12(16(21)22)14(9-13(15)17)19-5-3-4-6-19/h7-9H,3-6H2,1-2H3,(H,21,22)