2-[[4-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-isobutylsulfanyl-3-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-(2-methylpropylthio)-3-nitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[4-(2-methylpropylsulfanyl)-3-nitrobenzoyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[4-(isobutylthio)-3-nitro-benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S2/c1-12(2)11-30-17-8-3-13(9-16(17)22(26)27)19(25)21-14-4-6-15(7-5-14)31(28,29)20-10-18(23)24/h3-9,12,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)