N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[2-(2-methyl-1-imidazolyl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(2-methylimidazol-1-yl)benzyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=CC=C2CNC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=CC=C2CNC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c1-21-27-15-17-30(21)25-14-6-5-12-23(25)19-28-26(31)24-13-7-16-29(20-24)34(32,33)18-8-11-22-9-3-2-4-10-22/h2-6,9-10,12,14-15,17,24H,7-8,11,13,16,18-20H2,1H3,(H,28,31)