N-(2-chloranyl-4-fluoranyl-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C21H23ClFN5O3S MolecularWeight: 479.955423

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)Cl)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)Cl)N=N1

InChI

InChI=1S/C21H23ClFN5O3S/c1-2-9-28-20-6-4-16(13-19(20)25-26-28)32(30,31)27-10-7-14(8-11-27)21(29)24-18-5-3-15(23)12-17(18)22/h3-6,12-14H,2,7-11H2,1H3,(H,24,29)