(3-propan-2-ylphenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (3-isopropylphenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid m-cumenyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-14(2)15-5-3-6-17(13-15)24-25(22,23)18-10-8-16(9-11-18)20-12-4-7-19(20)21/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3