methyl 2-[4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoylamino]benzoate

Systemtic Name: methyl 2-[4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 2-[4-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoylamino]benzoate CAS Name: 2-[[4-[methyl-(4-nitrophenyl)sulfonylamino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[methyl-(4-nitrophenyl)sulfonylamino]butanoylamino]benzoate Traditional Name: 2-[4-[methyl(nosyl)amino]butanoylamino]benzoic acid methyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-21(30(27,28)15-11-9-14(10-12-15)22(25)26)13-5-8-18(23)20-17-7-4-3-6-16(17)19(24)29-2/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,20,23)