methyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylprop-2-enoyl]amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonyl-[(E)-3-phenylacryloyl]amino]benzofuran-3-carboxylic acid methyl ester Formula: C26H20N2O8S MolecularWeight: 520.5106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)/C=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H20N2O8S/c1-17-25(26(30)35-2)22-16-19(12-13-23(22)36-17)27(24(29)14-11-18-7-4-3-5-8-18)37(33,34)21-10-6-9-20(15-21)28(31)32/h3-16H,1-2H3/b14-11+