1-ethyl-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[5-(1-pyrrolidinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[5-pyrrolidinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide Formula: C21H22F3N5O4S MolecularWeight: 497.49069

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)OCC(F)(F)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)OCC(F)(F)F)N=N1

InChI

InChI=1S/C21H22F3N5O4S/c1-2-29-18-7-5-14(11-16(18)26-27-29)20(30)25-17-12-15(34(31,32)28-9-3-4-10-28)6-8-19(17)33-13-21(22,23)24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,25,30)