3-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Systemtic Name: 3-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-phenyl-N-[3-(1-piperidylsulfonyl)phenyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-phenyl-N-[3-(1-piperidinylsulfonyl)phenyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-phenyl-N-(3-piperidinosulfonylphenyl)-2-isoxazoline-5-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c25-21(20-15-19(23-28-20)16-8-3-1-4-9-16)22-17-10-7-11-18(14-17)29(26,27)24-12-5-2-6-13-24/h1,3-4,7-11,14,20H,2,5-6,12-13,15H2,(H,22,25)