methyl 2-[[4-[(4-tert-butyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(4-tert-butyl-3-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoate Openeye Name: methyl 2-[[4-[(4-tert-butyl-3-nitro-benzoyl)amino]phenyl]sulfonylamino]acetate CAS Name: 2-[[4-[[(4-tert-butyl-3-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-tert-butyl-3-nitrobenzoyl)amino]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[(4-tert-butyl-3-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-20(2,3)16-10-5-13(11-17(16)23(26)27)19(25)22-14-6-8-15(9-7-14)31(28,29)21-12-18(24)30-4/h5-11,21H,12H2,1-4H3,(H,22,25)