N4-cyclopropyl-N1-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]benzene-1,4-disulfonamide

Systemtic Name: N4-cyclopropyl-N1-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]benzene-1,4-disulfonamide Openeye Name: N4-cyclopropyl-N1-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]benzene-1,4-disulfonamide CAS Name: N4-cyclopropyl-N1-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-cyclopropyl-1-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]benzene-1,4-disulfonamide Traditional Name: N'-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]benzene-1,4-disulfonamide Formula: C17H18N6O4S2 MolecularWeight: 434.49262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C17H18N6O4S2/c24-28(25,15-5-7-16(8-6-15)29(26,27)22-14-3-4-14)21-10-13-2-1-9-19-17(13)23-12-18-11-20-23/h1-2,5-9,11-12,14,21-22H,3-4,10H2