prop-2-enyl (2S,5S)-2-ethyl-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,5S)-2-ethyl-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate Openeye Name: allyl (2S,5S)-2-ethyl-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate CAS Name: (2S,5S)-2-ethyl-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,5S)-2-ethyl-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: (2S,5S)-2-ethyl-5-methylol-4-nosyl-piperazine-1-carboxylic acid allyl ester Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(CN1C(=O)OCC=C)CO)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CN([C@@H](CN1C(=O)OCC=C)CO)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7S/c1-3-9-27-17(22)18-10-15(12-21)19(11-13(18)4-2)28(25,26)16-7-5-14(6-8-16)20(23)24/h3,5-8,13,15,21H,1,4,9-12H2,2H3/t13-,15-/m0/s1