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

Systemtic Name: 1-(phenylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isonipecotamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c27-21(24-19-8-6-17(7-9-19)14-25-16-22-15-23-25)18-10-12-26(13-11-18)30(28,29)20-4-2-1-3-5-20/h1-9,15-16,18H,10-14H2,(H,24,27)