disodium 2-[(4-aminocarbonylphenyl)-[[(2-sulfanidyl-1,3-benzoxazol-6-yl)amino]methyl]amino]ethanoate

Systemtic Name: disodium 2-[(4-aminocarbonylphenyl)-[[(2-sulfanidyl-1,3-benzoxazol-6-yl)amino]methyl]amino]ethanoate Openeye Name: disodium 2-[4-carbamoyl-N-[[(2-sulfido-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetate CAS Name: disodium 2-[4-carbamoyl-N-[[(2-sulfido-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetate IUPAC Name: disodium 2-[4-carbamoyl-N-[[(2-sulfido-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetate Traditional Name: disodium 2-[4-carbamoyl-N-[[(2-sulfido-1,3-benzoxazol-6-yl)amino]methyl]anilino]acetate Formula: C17H14N4Na2O4S MolecularWeight: 416.362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N(CC(=O)[O-])CNC2=CC3=C(C=C2)N=C(O3)[S-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N(CC(=O)[O-])CNC2=CC3=C(C=C2)N=C(O3)[S-].[Na+].[Na+]

InChI

InChI=1S/C17H16N4O4S.2Na/c18-16(24)10-1-4-12(5-2-10)21(8-15(22)23)9-19-11-3-6-13-14(7-11)25-17(26)20-13;;/h1-7,19H,8-9H2,(H2,18,24)(H,20,26)(H,22,23);;/q;2*+1/p-2