(5-aminocarbonyl-1-ethanoyl-pyrrolidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-aminocarbonyl-1-ethanoyl-pyrrolidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-acetyl-5-carbamoyl-pyrrolidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-acetyl-5-carbamoyl-3-pyrrolidinyl) ester IUPAC Name: (1-acetyl-5-carbamoylpyrrolidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-acetyl-5-carbamoyl-pyrrolidin-3-yl) ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)C(=O)C)C(=O)N

InChI

InChI=1S/C14H18N2O5S/c1-9-3-5-12(6-4-9)22(19,20)21-11-7-13(14(15)18)16(8-11)10(2)17/h3-6,11,13H,7-8H2,1-2H3,(H2,15,18)