N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-morpholinosulfonyl-benzenesulfonamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CC1C2=NC(=NN2)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H23N5O5S2/c27-32(28,16-7-9-17(10-8-16)33(29,30)26-11-13-31-14-12-26)25-19-4-2-1-3-18(19)21-22-20(23-24-21)15-5-6-15/h1-4,7-10,15,25H,5-6,11-14H2,(H,22,23,24)