methyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(4-methylphenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(4-methylbenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[(4-methylphenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-(4-methylbenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-p-toluoyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C25H19ClN2O8S MolecularWeight: 542.94496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN2O8S/c1-14-4-6-16(7-5-14)24(29)27(37(33,34)18-9-10-20(26)21(13-18)28(31)32)17-8-11-22-19(12-17)23(15(2)36-22)25(30)35-3/h4-13H,1-3H3