[4-[[4-[bis(azanyl)methylideneamino]phenyl]methoxy]-2-(dimethylcarbamoyl)phenyl] ethanoate; methane; sulfate

Systemtic Name: [4-[[4-[bis(azanyl)methylideneamino]phenyl]methoxy]-2-(dimethylcarbamoyl)phenyl] ethanoate; methane; sulfate Openeye Name: [2-(dimethylcarbamoyl)-4-[(4-guanidinophenyl)methoxy]phenyl] acetate; methane; sulfate CAS Name: acetic acid [4-[[4-(diaminomethylideneamino)phenyl]methoxy]-2-[dimethylamino(oxo)methyl]phenyl] ester; methane; sulfate IUPAC Name: [4-[[4-(diaminomethylideneamino)phenyl]methoxy]-2-(dimethylcarbamoyl)phenyl] acetate; methane; sulfate Traditional Name: acetic acid [2-(dimethylcarbamoyl)-4-(4-guanidinobenzyl)oxy-phenyl] ester; methane; sulfate Formula: C20H26N4O8S-2 MolecularWeight: 482.50744

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)OC1=C(C=C(C=C1)OCC2=CC=C(C=C2)N=C(N)N)C(=O)N(C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C.CC(=O)OC1=C(C=C(C=C1)OCC2=CC=C(C=C2)N=C(N)N)C(=O)N(C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H22N4O4.CH4.H2O4S/c1-12(24)27-17-9-8-15(10-16(17)18(25)23(2)3)26-11-13-4-6-14(7-5-13)22-19(20)21;;1-5(2,3)4/h4-10H,11H2,1-3H3,(H4,20,21,22);1H4;(H2,1,2,3,4)/p-2