N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-(4-piperidinosulfonylbenzyl)-5-(2-thienyl)isoxazole-3-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O4S2/c24-20(17-13-18(27-22-17)19-5-4-12-28-19)21-14-15-6-8-16(9-7-15)29(25,26)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11,14H2,(H,21,24)