N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonyl-nipecotamide Formula: C20H27FN4O3S MolecularWeight: 422.516783

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C

InChI

InChI=1S/C20H27FN4O3S/c1-3-13-29(27,28)25-11-4-5-16(14-25)20(26)23-18(19-22-10-12-24(19)2)15-6-8-17(21)9-7-15/h6-10,12,16,18H,3-5,11,13-14H2,1-2H3,(H,23,26)