[azanyl-(1,3-benzoxazol-2-ylamino)methylidene]-(4-ethoxycarbonylphenyl)sulfonyl-azanium

Systemtic Name: [azanyl-(1,3-benzoxazol-2-ylamino)methylidene]-(4-ethoxycarbonylphenyl)sulfonyl-azanium Openeye Name: [amino-(1,3-benzoxazol-2-ylamino)methylene]-(4-ethoxycarbonylphenyl)sulfonyl-ammonium CAS Name: [amino-(1,3-benzoxazol-2-ylamino)methylidene]-(4-ethoxycarbonylphenyl)sulfonylammonium IUPAC Name: [amino-(1,3-benzoxazol-2-ylamino)methylidene]-(4-ethoxycarbonylphenyl)sulfonylazanium Traditional Name: [amino-(1,3-benzoxazol-2-ylamino)methylene]-(4-carbethoxyphenyl)sulfonyl-ammonium Formula: C17H17N4O5S+ MolecularWeight: 389.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)[NH+]=C(N)NC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)[NH+]=C(N)NC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H16N4O5S/c1-2-25-15(22)11-7-9-12(10-8-11)27(23,24)21-16(18)20-17-19-13-5-3-4-6-14(13)26-17/h3-10H,2H2,1H3,(H3,18,19,20,21)/p+1