(2S)-2-benzamido-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(2,4-dimethoxy-5-nitrophenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(2,4-dimethoxy-5-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C24H28N4O10S MolecularWeight: 564.56492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H28N4O10S/c1-37-19-15-20(38-2)21(14-18(19)28(33)34)39(35,36)27-12-10-26(11-13-27)22(29)9-8-17(24(31)32)25-23(30)16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,25,30)(H,31,32)/t17-/m0/s1