4-[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]morpholine Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C22H25N5O3S/c28-31(29,26-11-4-5-12-26)20-10-6-7-18(17-20)21-23-24-22(25-13-15-30-16-14-25)27(21)19-8-2-1-3-9-19/h1-3,6-10,17H,4-5,11-16H2