2-[(C-aminocarbonyloxycarbonimidoyl)-(2-nitro-5-propylsulfanyl-phenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(C-aminocarbonyloxycarbonimidoyl)-(2-nitro-5-propylsulfanyl-phenyl)amino]ethanesulfonic acid Openeye Name: 2-(N-(carbamoyloxycarbonimidoyl)-2-nitro-5-propylsulfanyl-anilino)ethanesulfonic acid CAS Name: 2-[N-[carbamoyloxy(imino)methyl]-2-nitro-5-(propylthio)anilino]ethanesulfonic acid IUPAC Name: 2-(N-(C-carbamoyloxycarbonimidoyl)-2-nitro-5-propylsulfanylanilino)ethanesulfonic acid Traditional Name: 2-[N-(carbamoyloxycarbonimidoyl)-2-nitro-5-(propylthio)anilino]ethanesulfonic acid Formula: C13H18N4O7S2 MolecularWeight: 406.43462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O7S2/c1-2-6-25-9-3-4-10(17(19)20)11(8-9)16(5-7-26(21,22)23)12(14)24-13(15)18/h3-4,8,14H,2,5-7H2,1H3,(H2,15,18)(H,21,22,23)