N4-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-disulfonamide

Systemtic Name: N4-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-disulfonamide Openeye Name: N4-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-disulfonamide CAS Name: N4-[2-(1-phenyl-4-pyrazolyl)ethyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-disulfonamide Traditional Name: N'-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-disulfonamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O4S2/c18-26(22,23)16-6-8-17(9-7-16)27(24,25)20-11-10-14-12-19-21(13-14)15-4-2-1-3-5-15/h1-9,12-13,20H,10-11H2,(H2,18,22,23)