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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O4S2/c1-12(2)22-29(26,27)17-11-14(13-4-6-15(19)7-5-13)10-16(28(20,24)25)18(17)23-9-3-8-21-23/h3-12,22H,1-2H3,(H2,20,24,25)