methyl 2-[(2-nitrophenyl)sulfonyl-[(1R,4R,5S)-5-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-4-oxidanyl-cyclohex-2-en-1-yl]amino]ethanoate

Systemtic Name: methyl 2-[(2-nitrophenyl)sulfonyl-[(1R,4R,5S)-5-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-4-oxidanyl-cyclohex-2-en-1-yl]amino]ethanoate Openeye Name: methyl 2-[[(1R,4R,5S)-5-[benzyl-(2-nitrophenyl)sulfonyl-amino]-4-hydroxy-cyclohex-2-en-1-yl]-(2-nitrophenyl)sulfonyl-amino]acetate CAS Name: 2-[[(1R,4R,5S)-4-hydroxy-5-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]-1-cyclohex-2-enyl]-(2-nitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(1R,4R,5S)-5-[benzyl-(2-nitrophenyl)sulfonylamino]-4-hydroxycyclohex-2-en-1-yl]-(2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[(1R,4R,5S)-5-[benzyl-(2-nitrophenyl)sulfonyl-amino]-4-hydroxy-cyclohex-2-en-1-yl]-(2-nitrophenyl)sulfonyl-amino]acetic acid methyl ester Formula: C28H28N4O11S2 MolecularWeight: 660.67212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1CC(C(C=C1)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN([C@@H]1C[C@@H]([C@@H](C=C1)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O11S2/c1-43-28(34)19-29(44(39,40)26-13-7-5-11-22(26)31(35)36)21-15-16-25(33)24(17-21)30(18-20-9-3-2-4-10-20)45(41,42)27-14-8-6-12-23(27)32(37)38/h2-16,21,24-25,33H,17-19H2,1H3/t21-,24-,25+/m0/s1