N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-esyl-isonipecotamide Formula: C16H20ClN5O3S MolecularWeight: 397.8797

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C16H20ClN5O3S/c1-2-26(24,25)21-7-5-12(6-8-21)16(23)20-14-9-13(17)3-4-15(14)22-11-18-10-19-22/h3-4,9-12H,2,5-8H2,1H3,(H,20,23)