2-[[(methoxycarbonylamino)-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]amino]ethanesulfonic acid

Systemtic Name: 2-[[(methoxycarbonylamino)-[(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]amino]ethanesulfonic acid Openeye Name: 2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanyl-anilino)methylene]amino]ethanesulfonic acid CAS Name: 2-[[(methoxycarbonylamino)-[2-nitro-5-(propylthio)anilino]methylidene]amino]ethanesulfonic acid IUPAC Name: 2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acid Traditional Name: 2-[[(carbomethoxyamino)-[2-nitro-5-(propylthio)anilino]methylene]amino]ethanesulfonic acid Formula: C14H20N4O7S2 MolecularWeight: 420.4612

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=NCCS(=O)(=O)O)NC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=NCCS(=O)(=O)O)NC(=O)OC

InChI

InChI=1S/C14H20N4O7S2/c1-3-7-26-10-4-5-12(18(20)21)11(9-10)16-13(17-14(19)25-2)15-6-8-27(22,23)24/h4-5,9H,3,6-8H2,1-2H3,(H,22,23,24)(H2,15,16,17,19)