N3-cyclopropyl-N1-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-cyclopropyl-N1-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-cyclopropyl-N1-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-cyclopropyl-N1-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-cyclopropyl-1-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-cyclopropyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzene-1,3-disulfonamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

CN1C=NN=C1C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C18H19N5O4S2/c1-23-12-19-20-18(23)13-5-7-14(8-6-13)21-28(24,25)16-3-2-4-17(11-16)29(26,27)22-15-9-10-15/h2-8,11-12,15,21-22H,9-10H2,1H3