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

Systemtic Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[4-(2-methyl-1-imidazolyl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[4-(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=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

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