N-(2-fluorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-fluorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-fluorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-fluorophenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-fluorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-fluorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C21H24FN5O3S MolecularWeight: 445.510363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4F)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4F)N=N1

InChI

InChI=1S/C21H24FN5O3S/c1-2-11-27-20-8-7-16(14-19(20)24-25-27)31(29,30)26-12-9-15(10-13-26)21(28)23-18-6-4-3-5-17(18)22/h3-8,14-15H,2,9-13H2,1H3,(H,23,28)