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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-tosyl-isonipecotamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H22ClN5O3S/c1-15-2-5-18(6-3-15)31(29,30)26-10-8-16(9-11-26)21(28)25-19-12-17(22)4-7-20(19)27-14-23-13-24-27/h2-7,12-14,16H,8-11H2,1H3,(H,25,28)