[1-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]pyrrolidin-3-yl]methyl methanesulfonate

Systemtic Name: [1-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]pyrrolidin-3-yl]methyl methanesulfonate Openeye Name: [1-[(E)-N'-benzyloxycarbonylcarbamimidoyl]pyrrolidin-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-[(E)-amino(phenylmethoxycarbonylimino)methyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]pyrrolidin-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-[(E)-N'-carbobenzoxyamidino]pyrrolidin-3-yl]methyl ester Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1CCN(C1)C(=NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CS(=O)(=O)OCC1CCN(C1)/C(=N/C(=O)OCC2=CC=CC=C2)/N

InChI

InChI=1S/C15H21N3O5S/c1-24(20,21)23-11-13-7-8-18(9-13)14(16)17-15(19)22-10-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,16,17,19)