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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]isonipecotamide Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C22H22ClN5O4S/c1-15(29)16-2-5-19(6-3-16)33(31,32)27-10-8-17(9-11-27)22(30)26-20-12-18(23)4-7-21(20)28-14-24-13-25-28/h2-7,12-14,17H,8-11H2,1H3,(H,26,30)