[5-(azaniumylmethyl)-2-methoxy-phenyl]sulfonyl-(3-cyanophenyl)azanide

Systemtic Name: [5-(azaniumylmethyl)-2-methoxy-phenyl]sulfonyl-(3-cyanophenyl)azanide Openeye Name: [5-(azaniumylmethyl)-2-methoxy-phenyl]sulfonyl-(3-cyanophenyl)azanide CAS Name: [5-(ammoniomethyl)-2-methoxyphenyl]sulfonyl-(3-cyanophenyl)azanide IUPAC Name: [5-(azaniumylmethyl)-2-methoxyphenyl]sulfonyl-(3-cyanophenyl)azanide Traditional Name: [5-(ammoniomethyl)-2-methoxy-phenyl]sulfonyl-(3-cyanophenyl)azanide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH3+])S(=O)(=O)[N-]C2=CC=CC(=C2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH3+])S(=O)(=O)[N-]C2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H14N3O3S/c1-21-14-6-5-12(10-17)8-15(14)22(19,20)18-13-4-2-3-11(7-13)9-16/h2-8H,10,17H2,1H3/q-1/p+1