methyl 3-[[2-methoxy-5-[3-[(3-nitropyridin-2-yl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[2-methoxy-5-[3-[(3-nitropyridin-2-yl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-methoxy-5-[3-[(3-nitro-2-pyridyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 3-[[2-methoxy-5-[3-[(3-nitro-2-pyridinyl)amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-methoxy-5-[3-[(3-nitropyridin-2-yl)amino]phenyl]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 3-[[2-methoxy-5-[3-[(3-nitro-2-pyridyl)amino]phenyl]phenyl]sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C28H26N4O7S MolecularWeight: 562.59364

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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)OC)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)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O7S/c1-38-25-14-13-21(20-10-6-11-22(16-20)30-28-24(32(34)35)12-7-15-29-28)17-26(25)40(36,37)31-23(18-27(33)39-2)19-8-4-3-5-9-19/h3-17,23,31H,18H2,1-2H3,(H,29,30)