[1-(1-azanyl-1-oxidanylidene-butan-2-yl)-5-oxidanylidene-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(1-azanyl-1-oxidanylidene-butan-2-yl)-5-oxidanylidene-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(1-carbamoylpropyl)-5-oxo-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(1-amino-1-oxobutan-2-yl)-5-oxo-3-pyrrolidinyl]methyl ester IUPAC Name: [1-(1-amino-1-oxobutan-2-yl)-5-oxopyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(1-carbamoylpropyl)-5-keto-pyrrolidin-3-yl]methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)N1CC(CC1=O)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)N)N1CC(CC1=O)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N2O5S/c1-3-14(16(17)20)18-9-12(8-15(18)19)10-23-24(21,22)13-6-4-11(2)5-7-13/h4-7,12,14H,3,8-10H2,1-2H3,(H2,17,20)