2-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid Openeye Name: 2-(4-guanidinosulfonylphenyl)-1-(4-nitrophenyl)cyclobutanecarboxylic acid CAS Name: 2-[4-(diaminomethylideneamino)sulfonylphenyl]-1-(4-nitrophenyl)-1-cyclobutanecarboxylic acid IUPAC Name: 2-[4-(diaminomethylideneamino)sulfonylphenyl]-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid Traditional Name: 2-(4-guanidinosulfonylphenyl)-1-(4-nitrophenyl)cyclobutanecarboxylic acid Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C2=CC=C(C=C2)S(=O)(=O)N=C(N)N)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(C1C2=CC=C(C=C2)S(=O)(=O)N=C(N)N)(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H18N4O6S/c19-17(20)21-29(27,28)14-7-1-11(2-8-14)15-9-10-18(15,16(23)24)12-3-5-13(6-4-12)22(25)26/h1-8,15H,9-10H2,(H,23,24)(H4,19,20,21)