2-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-4-(4-nitrophenyl)butanoic acid

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]sulfonylphenyl]-4-(4-nitrophenyl)butanoic acid Openeye Name: 2-(4-guanidinosulfonylphenyl)-4-(4-nitrophenyl)butanoic acid CAS Name: 2-[4-(diaminomethylideneamino)sulfonylphenyl]-4-(4-nitrophenyl)butanoic acid IUPAC Name: 2-[4-(diaminomethylideneamino)sulfonylphenyl]-4-(4-nitrophenyl)butanoic acid Traditional Name: 2-(4-guanidinosulfonylphenyl)-4-(4-nitrophenyl)butyric acid Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(C2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S/c18-17(19)20-28(26,27)14-8-4-12(5-9-14)15(16(22)23)10-3-11-1-6-13(7-2-11)21(24)25/h1-2,4-9,15H,3,10H2,(H,22,23)(H4,18,19,20)