5-[3-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-phenyl]-1,2-oxazole

Systemtic Name: 5-[3-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-phenyl]-1,2-oxazole Openeye Name: 5-[3-methoxy-4-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]phenyl]isoxazole CAS Name: 5-[3-methoxy-4-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]phenyl]isoxazole IUPAC Name: 5-[3-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylphenyl]-1,2-oxazole Traditional Name: 5-[3-methoxy-4-(4-piperidinopiperidino)sulfonyl-phenyl]isoxazole Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC=NO2)S(=O)(=O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=NO2)S(=O)(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C20H27N3O4S/c1-26-19-15-16(18-7-10-21-27-18)5-6-20(19)28(24,25)23-13-8-17(9-14-23)22-11-3-2-4-12-22/h5-7,10,15,17H,2-4,8-9,11-14H2,1H3