O3-tert-butyl O1-methyl (2S)-2-[[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]methyl]propanedioate

Systemtic Name: O3-tert-butyl O1-methyl (2S)-2-[[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]methyl]propanedioate Openeye Name: O1-tert-butyl O3-methyl (2S)-2-[[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]methyl]propanedioate CAS Name: (2S)-2-[[(2-nitrophenyl)sulfonyl-pent-4-enylamino]methyl]propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl (2S)-2-[[(2-nitrophenyl)sulfonyl-pent-4-enylamino]methyl]propanedioate Traditional Name: (2S)-2-[[(2-nitrophenyl)sulfonyl-pent-4-enyl-amino]methyl]malonic acid O1-tert-butyl ester O3-methyl ester Formula: C20H28N2O8S MolecularWeight: 456.50992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN(CCCC=C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CN(CCCC=C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H28N2O8S/c1-6-7-10-13-21(14-15(18(23)29-5)19(24)30-20(2,3)4)31(27,28)17-12-9-8-11-16(17)22(25)26/h6,8-9,11-12,15H,1,7,10,13-14H2,2-5H3/t15-/m0/s1