methyl 2-methyl-3-[2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-methyl-3-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-(N-(2-nitrophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-methyl-3-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O7S/c1-16-18(23(28)33-2)11-8-12-19(16)24-22(27)15-25(17-9-4-3-5-10-17)34(31,32)21-14-7-6-13-20(21)26(29)30/h3-14H,15H2,1-2H3,(H,24,27)