[(4E)-3-(azidomethyl)-4-ethoxyimino-1-(phenylmethyl)pyrrolidin-3-yl]methyl methanesulfonate

Systemtic Name: [(4E)-3-(azidomethyl)-4-ethoxyimino-1-(phenylmethyl)pyrrolidin-3-yl]methyl methanesulfonate Openeye Name: [(4E)-3-(azidomethyl)-1-benzyl-4-ethoxyimino-pyrrolidin-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(4E)-3-(azidomethyl)-4-ethoxyimino-1-(phenylmethyl)-3-pyrrolidinyl]methyl ester IUPAC Name: [(4E)-3-(azidomethyl)-1-benzyl-4-ethoxyiminopyrrolidin-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(4E)-3-(azidomethyl)-1-benzyl-4-ethyloximino-pyrrolidin-3-yl]methyl ester Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C1CN(CC1(CN=[N+]=[N-])COS(=O)(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CCO/N=C\1/CN(CC1(CN=[N+]=[N-])COS(=O)(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C16H23N5O4S/c1-3-24-19-15-10-21(9-14-7-5-4-6-8-14)12-16(15,11-18-20-17)13-25-26(2,22)23/h4-8H,3,9-13H2,1-2H3/b19-15-