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

Systemtic Name: 1-methylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]isonipecotamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H21N5O3S/c1-25(23,24)21-8-6-14(7-9-21)16(22)19-15-4-2-13(3-5-15)10-20-12-17-11-18-20/h2-5,11-12,14H,6-10H2,1H3,(H,19,22)