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

Systemtic Name: 5-(4-chlorophenyl)-N3-ethyl-N3-methyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide Openeye Name: 5-(4-chlorophenyl)-N3-ethyl-N3-methyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide CAS Name: 5-(4-chlorophenyl)-N3-ethyl-N3-methyl-2-(1-pyrazolyl)benzene-1,3-disulfonamide IUPAC Name: 5-(4-chlorophenyl)-3-N-ethyl-3-N-methyl-2-pyrazol-1-ylbenzene-1,3-disulfonamide Traditional Name: 5-(4-chlorophenyl)-N'-ethyl-N'-methyl-2-pyrazol-1-yl-benzene-1,3-disulfonamide Formula: C18H19ClN4O4S2 MolecularWeight: 454.95086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O4S2/c1-3-22(2)29(26,27)17-12-14(13-5-7-15(19)8-6-13)11-16(28(20,24)25)18(17)23-10-4-9-21-23/h4-12H,3H2,1-2H3,(H2,20,24,25)