methyl 3-[2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2,4-dimethoxyphenyl)-(2-nitrophenyl)sulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonyl-anilino)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C25H25N3O9S MolecularWeight: 543.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CN(C2=C(C=C(C=C2)OC)OC)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H25N3O9S/c1-16-18(25(30)37-4)8-7-9-19(16)26-24(29)15-27(20-13-12-17(35-2)14-22(20)36-3)38(33,34)23-11-6-5-10-21(23)28(31)32/h5-14H,15H2,1-4H3,(H,26,29)