2-[[4-[[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[3-(furan-2-ylcarbonylamino)-4-methyl-phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[3-(furan-2-carbonylamino)-4-methyl-benzoyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[3-[[2-furanyl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[3-(2-furoylamino)-4-methyl-benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H19N3O7S/c1-13-4-5-14(11-17(13)24-21(28)18-3-2-10-31-18)20(27)23-15-6-8-16(9-7-15)32(29,30)22-12-19(25)26/h2-11,22H,12H2,1H3,(H,23,27)(H,24,28)(H,25,26)