5-(4-chlorophenyl)-N3,N3-dimethyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide

Systemtic Name: 5-(4-chlorophenyl)-N3,N3-dimethyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide Openeye Name: 5-(4-chlorophenyl)-N3,N3-dimethyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide CAS Name: 5-(4-chlorophenyl)-N3,N3-dimethyl-2-(1-pyrazolyl)benzene-1,3-disulfonamide IUPAC Name: 5-(4-chlorophenyl)-3-N,3-N-dimethyl-2-pyrazol-1-ylbenzene-1,3-disulfonamide Traditional Name: 5-(4-chlorophenyl)-N',N'-dimethyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide Formula: C17H17ClN4O4S2 MolecularWeight: 440.92428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=CC(=C1N2C=CC=N2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=CC(=C1N2C=CC=N2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN4O4S2/c1-21(2)28(25,26)16-11-13(12-4-6-14(18)7-5-12)10-15(27(19,23)24)17(16)22-9-3-8-20-22/h3-11H,1-2H3,(H2,19,23,24)