methyl 2-[2-[methyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H19N3O7S/c1-12-8-9-13(21(24)25)10-16(12)29(26,27)20(2)11-17(22)19-15-7-5-4-6-14(15)18(23)28-3/h4-10H,11H2,1-3H3,(H,19,22)