3-[4-[bis(azanyl)methylideneamino]sulfonylphenoxy]-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 3-[4-[bis(azanyl)methylideneamino]sulfonylphenoxy]-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 3-(4-guanidinosulfonylphenoxy)-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 3-[4-(diaminomethylideneamino)sulfonylphenoxy]-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 3-[4-(diaminomethylideneamino)sulfonylphenoxy]-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 3-(4-guanidinosulfonylphenoxy)-5-mesyl-2-methyl-benzoic acid Formula: C16H17N3O7S2 MolecularWeight: 427.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C16H17N3O7S2/c1-9-13(15(20)21)7-12(27(2,22)23)8-14(9)26-10-3-5-11(6-4-10)28(24,25)19-16(17)18/h3-8H,1-2H3,(H,20,21)(H4,17,18,19)