1-(4-chlorophenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isonipecotamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O3S/c22-18-3-7-20(8-4-18)31(29,30)27-11-9-17(10-12-27)21(28)25-19-5-1-16(2-6-19)13-26-15-23-14-24-26/h1-8,14-15,17H,9-13H2,(H,25,28)