N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(2-methylimidazol-1-yl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c1-16-22-10-12-25(16)19-8-6-17(7-9-19)14-23-21(26)18-4-2-11-24(15-18)30(27,28)20-5-3-13-29-20/h3,5-10,12-13,18H,2,4,11,14-15H2,1H3,(H,23,26)