methyl 3-[[2-methoxy-1-[(3-nitropyridin-2-yl)amino]-5-phenyl-cyclohexa-2,4-dien-1-yl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[2-methoxy-1-[(3-nitropyridin-2-yl)amino]-5-phenyl-cyclohexa-2,4-dien-1-yl]sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-methoxy-1-[(3-nitro-2-pyridyl)amino]-5-phenyl-cyclohexa-2,4-dien-1-yl]sulfonylamino]-3-phenyl-propanoate CAS Name: 3-[[2-methoxy-1-[(3-nitro-2-pyridinyl)amino]-5-phenyl-1-cyclohexa-2,4-dienyl]sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-methoxy-1-[(3-nitropyridin-2-yl)amino]-5-phenylcyclohexa-2,4-dien-1-yl]sulfonylamino]-3-phenylpropanoate Traditional Name: 3-[[2-methoxy-1-[(3-nitro-2-pyridyl)amino]-5-phenyl-cyclohexa-2,4-dien-1-yl]sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C28H28N4O7S MolecularWeight: 564.60952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1(NC2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(CC1(NC2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)NC(CC(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O7S/c1-38-25-16-15-22(20-10-5-3-6-11-20)19-28(25,30-27-24(32(34)35)14-9-17-29-27)40(36,37)31-23(18-26(33)39-2)21-12-7-4-8-13-21/h3-17,23,31H,18-19H2,1-2H3,(H,29,30)