1-(5-methylthiophen-2-yl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: 1-(5-methylthiophen-2-yl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: 1-[(5-methyl-2-thienyl)sulfonyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(5-methylthiophen-2-yl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]-N-[4-(pyrazol-1-ylmethyl)benzyl]nipecotamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H26N4O3S2/c1-17-5-10-21(30-17)31(28,29)26-13-2-4-20(16-26)22(27)23-14-18-6-8-19(9-7-18)15-25-12-3-11-24-25/h3,5-12,20H,2,4,13-16H2,1H3,(H,23,27)