(2,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21NO5S2/c1-14-5-6-15(2)18(13-14)24-26(22,23)17-9-7-16(8-10-17)25(20,21)19-11-3-4-12-19/h5-10,13H,3-4,11-12H2,1-2H3