N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(pyrazol-1-ylmethyl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C21H24N4O3S2/c26-21(19-8-3-12-25(16-19)30(27,28)20-9-4-13-29-20)22-14-17-6-1-2-7-18(17)15-24-11-5-10-23-24/h1-2,4-7,9-11,13,19H,3,8,12,14-16H2,(H,22,26)