3-[[2-methoxy-5-[3-[(3-nitropyridin-2-yl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-methoxy-5-[3-[(3-nitropyridin-2-yl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-methoxy-5-[3-[(3-nitro-2-pyridyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-[[2-methoxy-5-[3-[(3-nitro-2-pyridinyl)amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-methoxy-5-[3-[(3-nitropyridin-2-yl)amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-[[2-methoxy-5-[3-[(3-nitro-2-pyridyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C27H24N4O7S MolecularWeight: 548.56706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC3=C(C=CC=N3)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=CC=C2)NC3=C(C=CC=N3)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O7S/c1-38-24-13-12-20(19-9-5-10-21(15-19)29-27-23(31(34)35)11-6-14-28-27)16-25(24)39(36,37)30-22(17-26(32)33)18-7-3-2-4-8-18/h2-16,22,30H,17H2,1H3,(H,28,29)(H,32,33)