2-(3,4-dimethylphenyl)sulfonyloxy-5-pyrrolidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonyloxy-5-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-(3,4-dimethylphenyl)sulfonyloxy-5-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 2-(3,4-dimethylphenyl)sulfonyloxy-5-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 2-(3,4-dimethylphenyl)sulfonyloxy-5-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 2-(3,4-dimethylphenyl)sulfonyloxy-5-pyrrolidinosulfonyl-benzoic acid Formula: C19H21NO7S2 MolecularWeight: 439.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)O)C

InChI

InChI=1S/C19H21NO7S2/c1-13-5-6-16(11-14(13)2)29(25,26)27-18-8-7-15(12-17(18)19(21)22)28(23,24)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,22)