ethyl 3-chloranyl-4-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C25H24ClN3O8S MolecularWeight: 561.99136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H24ClN3O8S/c1-4-37-25(31)17-6-12-22(21(26)13-17)27-24(30)15-28(18-7-9-19(36-3)10-8-18)38(34,35)20-11-5-16(2)23(14-20)29(32)33/h5-14H,4,15H2,1-3H3,(H,27,30)