[3-[(3-azanyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]-4-bromanyl-phenyl] methanesulfonate hydrochloride

Systemtic Name: [3-[(3-azanyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]-4-bromanyl-phenyl] methanesulfonate hydrochloride Openeye Name: [3-[(3-amino-2-oxo-pyrrolidin-1-yl)methyl]-4-bromo-phenyl] methanesulfonate hydrochloride CAS Name: methanesulfonic acid [3-[(3-amino-2-oxo-1-pyrrolidinyl)methyl]-4-bromophenyl] ester hydrochloride IUPAC Name: [3-[(3-amino-2-oxopyrrolidin-1-yl)methyl]-4-bromophenyl] methanesulfonate hydrochloride Traditional Name: methanesulfonic acid [3-[(3-amino-2-keto-pyrrolidino)methyl]-4-bromo-phenyl] ester hydrochloride Formula: C12H16BrClN2O4S MolecularWeight: 399.68844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)Br)CN2CCC(C2=O)N.Cl

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)Br)CN2CCC(C2=O)N.Cl

InChI

InChI=1S/C12H15BrN2O4S.ClH/c1-20(17,18)19-9-2-3-10(13)8(6-9)7-15-5-4-11(14)12(15)16;/h2-3,6,11H,4-5,7,14H2,1H3;1H